2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine

C83H205N65 — CID 176541812

IUPAC2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine
SMILESC/N=C(\N(C)C)N(C)/C(=N/C)N(C)C.[H]/N=C(\N)N(C)/C(N)=N/CC.[H]/N=C(\N)N(C)/C(N)=N/CCC.[H]/N=C(\N)N(C)/C(N)=N/CCCC.[H]/N=C(\N)N(C)/C(N)=N/CCCCC.[H]/N=C(\N)N/C(N)=N/CC.[H]/N=C(\N)N/C(N)=N/CCC.[H]/N=C(\N)N/C(N)=N/CCCC.[H]/N=C(\N)N/C(N)=N/CCCCC.[H]/N=C(\N)N=C(N)N(C)CC.[H]/N=C(\N)N=C(N)N(C)CCC.[H]/N=C(\N)N=C(N)N(C)CCCC.[H]/N=C(\N)N=C(N)N(C)CCCCC
InChIInChI=1S/C9H21N5.2C8H19N5.3C7H17N5.3C6H15N5.3C5H13N5.C4H11N5/c1-10-8(12(3)4)14(7)9(11-2)13(5)6;1-3-4-5-6-13(2)8(11)12-7(9)10;1-3-4-5-6-12-8(11)13(2)7(9)10;1-3-4-5-12(2)7(10)11-6(8)9;1-3-4-5-11-7(10)12(2)6(8)9;1-2-3-4-5-11-7(10)12-6(8)9;1-3-4-11(2)6(9)10-5(7)8;1-3-4-10-6(9)11(2)5(7)8;1-2-3-4-10-6(9)11-5(7)8;1-3-10(2)5(8)9-4(6)7;1-3-9-5(8)10(2)4(6)7;1-2-3-9-5(8)10-4(6)7;1-2-8-4(7)9-3(5)6/h1-7H3;3-6H2,1-2H3,(H5,9,10,11,12);3-6H2,1-2H3,(H3,9,10)(H2,11,12);3-5H2,1-2H3,(H5,8,9,10,11);3-5H2,1-2H3,(H3,8,9)(H2,10,11);2-5H2,1H3,(H6,8,9,10,11,12);3-4H2,1-2H3,(H5,7,8,9,10);3-4H2,1-2H3,(H3,7,8)(H2,9,10);2-4H2,1H3,(H6,7,8,9,10,11);3H2,1-2H3,(H5,6,7,8,9);3H2,1-2H3,(H3,6,7)(H2,8,9);2-3H2,1H3,(H6,6,7,8,9,10);2H2,1H3,(H6,5,6,7,8,9)/b10-8+,11-9+;;;;;;;;;;;;
InChIKeyHCBPOIIBPHGJKN-NMCDJZIOSA-N
MW2114.01 g/mol
LogP-4.58
Rot. Bonds30

About 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine

2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine (PubChem CID 176541812) has the molecular formula C83H205N65 and a molecular weight of 2114.01 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine
PubChem CID176541812
Molecular FormulaC83H205N65
Molecular Weight2114.01 g/mol
Exact Mass2112.80
IUPAC Name2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine
SMILESC/N=C(\N(C)C)N(C)/C(=N/C)N(C)C.[H]/N=C(\N)N(C)/C(N)=N/CC.[H]/N=C(\N)N(C)/C(N)=N/CCC.[H]/N=C(\N)N(C)/C(N)=N/CCCC.[H]/N=C(\N)N(C)/C(N)=N/CCCCC.[H]/N=C(\N)N/C(N)=N/CC.[H]/N=C(\N)N/C(N)=N/CCC.[H]/N=C(\N)N/C(N)=N/CCCC.[H]/N=C(\N)N/C(N)=N/CCCCC.[H]/N=C(\N)N=C(N)N(C)CC.[H]/N=C(\N)N=C(N)N(C)CCC.[H]/N=C(\N)N=C(N)N(C)CCCC.[H]/N=C(\N)N=C(N)N(C)CCCCC
InChIInChI=1S/C9H21N5.2C8H19N5.3C7H17N5.3C6H15N5.3C5H13N5.C4H11N5/c1-10-8(12(3)4)14(7)9(11-2)13(5)6;1-3-4-5-6-13(2)8(11)12-7(9)10;1-3-4-5-6-12-8(11)13(2)7(9)10;1-3-4-5-12(2)7(10)11-6(8)9;1-3-4-5-11-7(10)12(2)6(8)9;1-2-3-4-5-11-7(10)12-6(8)9;1-3-4-11(2)6(9)10-5(7)8;1-3-4-10-6(9)11(2)5(7)8;1-2-3-4-10-6(9)11-5(7)8;1-3-10(2)5(8)9-4(6)7;1-3-9-5(8)10(2)4(6)7;1-2-3-9-5(8)10-4(6)7;1-2-8-4(7)9-3(5)6/h1-7H3;3-6H2,1-2H3,(H5,9,10,11,12);3-6H2,1-2H3,(H3,9,10)(H2,11,12);3-5H2,1-2H3,(H5,8,9,10,11);3-5H2,1-2H3,(H3,8,9)(H2,10,11);2-5H2,1H3,(H6,8,9,10,11,12);3-4H2,1-2H3,(H5,7,8,9,10);3-4H2,1-2H3,(H3,7,8)(H2,9,10);2-4H2,1H3,(H6,7,8,9,10,11);3H2,1-2H3,(H5,6,7,8,9);3H2,1-2H3,(H3,6,7)(H2,8,9);2-3H2,1H3,(H6,6,7,8,9,10);2H2,1H3,(H6,5,6,7,8,9)/b10-8+,11-9+;;;;;;;;;;;;
InChIKeyHCBPOIIBPHGJKN-NMCDJZIOSA-N
XLogP-4.58
TPSA1167.48 Ų
H-Bond Donors40
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.01
LogP ≤ 5-4.58
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine with MolForge

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Related Compounds

1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
1,1-dimethyl-3-(N'-pentylcarbamimidoyl)guanidine;hydrochloride
CID 176524917
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1,2-dibutyl-1-carbamimidoylguanidine
CID 71332601

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine (CID 176541812) is 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine is C/N=C(\N(C)C)N(C)/C(=N/C)N(C)C.[H]/N=C(\N)N(C)/C(N)=N/CC.[H]/N=C(\N)N(C)/C(N)=N/CCC.[H]/N=C(\N)N(C)/C(N)=N/CCCC.[H]/N=C(\N)N(C)/C(N)=N/CCCCC.[H]/N=C(\N)N/C(N)=N/CC.[H]/N=C(\N)N/C(N)=N/CCC.[H]/N=C(\N)N/C(N)=N/CCCC.[H]/N=C(\N)N/C(N)=N/CCCCC.[H]/N=C(\N)N=C(N)N(C)CC.[H]/N=C(\N)N=C(N)N(C)CCC.[H]/N=C(\N)N=C(N)N(C)CCCC.[H]/N=C(\N)N=C(N)N(C)CCCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine?
The InChIKey is HCBPOIIBPHGJKN-NMCDJZIOSA-N. The full InChI is InChI=1S/C9H21N5.2C8H19N5.3C7H17N5.3C6H15N5.3C5H13N5.C4H11N5/c1-10-8(12(3)4)14(7)9(11-2)13(5)6;1-3-4-5-6-13(2)8(11)12-7(9)10;1-3-4-5-6-12-8(11)13(2)7(9)10;1-3-4-5-12(2)7(10)11-6(8)9;1-3-4-5-11-7(10)12(2)6(8)9;1-2-3-4-5-11-7(10)12-6(8)9;1-3-4-11(2)6(9)10-5(7)8;1-3-4-10-6(9)11(2)5(7)8;1-2-3-4-10-6(9)11-5(7)8;1-3-10(2)5(8)9-4(6)7;1-3-9-5(8)10(2)4(6)7;1-2-3-9-5(8)10-4(6)7;1-2-8-4(7)9-3(5)6/h1-7H3;3-6H2,1-2H3,(H5,9,10,11,12);3-6H2,1-2H3,(H3,9,10)(H2,11,12);3-5H2,1-2H3,(H5,8,9,10,11);3-5H2,1-2H3,(H3,8,9)(H2,10,11);2-5H2,1H3,(H6,8,9,10,11,12);3-4H2,1-2H3,(H5,7,8,9,10);3-4H2,1-2H3,(H3,7,8)(H2,9,10);2-4H2,1H3,(H6,7,8,9,10,11);3H2,1-2H3,(H5,6,7,8,9);3H2,1-2H3,(H3,6,7)(H2,8,9);2-3H2,1H3,(H6,6,7,8,9,10);2H2,1H3,(H6,5,6,7,8,9)/b10-8+,11-9+;;;;;;;;;;;;.
What are the key properties of 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine?
2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine has a molecular weight of 2114.01 g/mol, XLogP of -4.58, 30 rotatable bonds, 40 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;1-butyl-2-carbamimidoyl-1-methylguanidine;2-butyl-1-carbamimidoyl-1-methylguanidine;1-carbamimidoyl-2-ethylguanidine;1-carbamimidoyl-2-ethyl-1-methylguanidine;2-carbamimidoyl-1-ethyl-1-methylguanidine;1-carbamimidoyl-1-methyl-2-pentylguanidine;2-carbamimidoyl-1-methyl-1-pentylguanidine;1-carbamimidoyl-1-methyl-2-propylguanidine;2-carbamimidoyl-1-methyl-1-propylguanidine;1-carbamimidoyl-2-pentylguanidine;1-carbamimidoyl-2-propylguanidine;1,1,2,3-tetramethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine is sourced from PubChem (CID 176541812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).