1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine

C101H213N55 — CID 176534515

IUPAC1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine
SMILESC/N=C(\N)N/C(N)=N/C1CCCCC1.C/N=C(\N)N/C(N)=N/CC1CCCC1.CN(C)C(N)=N/C(N)=N/C1CCCCC1.CN(C)C(N)=N/C(N)=N/CC1CCCC1.CN/C(N=C(N)N)=N\C1CCCCC1.NC(N)=N/C(N)=N/C1CCCCC1.NC(N)=N/C(N)=N/CC1CCCCC1.[H]/N=C(\N)N(C)/C(N)=N/C1CCCCC1.[H]/N=C(\N)N(C)/C(N)=N/CC1CCCC1.[H]/N=C(\N)N(C)/C(N)=N/CC1CCCCC1.[H]/N=C(\N)N/C(=N\C)NCC1CCCC1
InChIInChI=1S/3C10H21N5.7C9H19N5.C8H17N5/c1-15(2)10(12)14-9(11)13-7-8-5-3-4-6-8;1-15(2)10(12)14-9(11)13-8-6-4-3-5-7-8;1-15(9(11)12)10(13)14-7-8-5-3-2-4-6-8;1-12-8(10)14-9(11)13-6-7-4-2-3-5-7;1-14(8(10)11)9(12)13-6-7-4-2-3-5-7;1-12-9(14-8(10)11)13-6-7-4-2-3-5-7;1-12-8(10)14-9(11)13-7-5-3-2-4-6-7;1-14(8(10)11)9(12)13-7-5-3-2-4-6-7;1-12-9(14-8(10)11)13-7-5-3-2-4-6-7;10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;9-7(10)13-8(11)12-6-4-2-1-3-5-6/h2*8H,3-7H2,1-2H3,(H4,11,12,13,14);8H,2-7H2,1H3,(H3,11,12)(H2,13,14);7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,2-6H2,1H3,(H3,10,11)(H2,12,13);2*7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,2-6H2,1H3,(H3,10,11)(H2,12,13);7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,1-6H2,(H6,10,11,12,13,14);6H,1-5H2,(H6,9,10,11,12,13)
InChIKeyNLACAISVKYRNSR-UHFFFAOYSA-N
MW2198.20 g/mol
LogP3.02
Rot. Bonds17

About 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine

1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine (PubChem CID 176534515) has the molecular formula C101H213N55 and a molecular weight of 2198.20 g/mol. Its IUPAC name is 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine
PubChem CID176534515
Molecular FormulaC101H213N55
Molecular Weight2198.20 g/mol
Exact Mass2196.84
IUPAC Name1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine
SMILESC/N=C(\N)N/C(N)=N/C1CCCCC1.C/N=C(\N)N/C(N)=N/CC1CCCC1.CN(C)C(N)=N/C(N)=N/C1CCCCC1.CN(C)C(N)=N/C(N)=N/CC1CCCC1.CN/C(N=C(N)N)=N\C1CCCCC1.NC(N)=N/C(N)=N/C1CCCCC1.NC(N)=N/C(N)=N/CC1CCCCC1.[H]/N=C(\N)N(C)/C(N)=N/C1CCCCC1.[H]/N=C(\N)N(C)/C(N)=N/CC1CCCC1.[H]/N=C(\N)N(C)/C(N)=N/CC1CCCCC1.[H]/N=C(\N)N/C(=N\C)NCC1CCCC1
InChIInChI=1S/3C10H21N5.7C9H19N5.C8H17N5/c1-15(2)10(12)14-9(11)13-7-8-5-3-4-6-8;1-15(2)10(12)14-9(11)13-8-6-4-3-5-7-8;1-15(9(11)12)10(13)14-7-8-5-3-2-4-6-8;1-12-8(10)14-9(11)13-6-7-4-2-3-5-7;1-14(8(10)11)9(12)13-6-7-4-2-3-5-7;1-12-9(14-8(10)11)13-6-7-4-2-3-5-7;1-12-8(10)14-9(11)13-7-5-3-2-4-6-7;1-14(8(10)11)9(12)13-7-5-3-2-4-6-7;1-12-9(14-8(10)11)13-7-5-3-2-4-6-7;10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;9-7(10)13-8(11)12-6-4-2-1-3-5-6/h2*8H,3-7H2,1-2H3,(H4,11,12,13,14);8H,2-7H2,1H3,(H3,11,12)(H2,13,14);7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,2-6H2,1H3,(H3,10,11)(H2,12,13);2*7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,2-6H2,1H3,(H3,10,11)(H2,12,13);7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,1-6H2,(H6,10,11,12,13,14);6H,1-5H2,(H6,9,10,11,12,13)
InChIKeyNLACAISVKYRNSR-UHFFFAOYSA-N
XLogP3.02
TPSA992.69 Ų
H-Bond Donors32
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.20
LogP ≤ 53.02
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine?
The IUPAC name of 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine (CID 176534515) is 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine.
What is the SMILES notation for 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine?
The canonical SMILES for 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine is C/N=C(\N)N/C(N)=N/C1CCCCC1.C/N=C(\N)N/C(N)=N/CC1CCCC1.CN(C)C(N)=N/C(N)=N/C1CCCCC1.CN(C)C(N)=N/C(N)=N/CC1CCCC1.CN/C(N=C(N)N)=N\C1CCCCC1.NC(N)=N/C(N)=N/C1CCCCC1.NC(N)=N/C(N)=N/CC1CCCCC1.[H]/N=C(\N)N(C)/C(N)=N/C1CCCCC1.[H]/N=C(\N)N(C)/C(N)=N/CC1CCCC1.[H]/N=C(\N)N(C)/C(N)=N/CC1CCCCC1.[H]/N=C(\N)N/C(=N\C)NCC1CCCC1.
What is the InChIKey of 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine?
The InChIKey is NLACAISVKYRNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H21N5.7C9H19N5.C8H17N5/c1-15(2)10(12)14-9(11)13-7-8-5-3-4-6-8;1-15(2)10(12)14-9(11)13-8-6-4-3-5-7-8;1-15(9(11)12)10(13)14-7-8-5-3-2-4-6-8;1-12-8(10)14-9(11)13-6-7-4-2-3-5-7;1-14(8(10)11)9(12)13-6-7-4-2-3-5-7;1-12-9(14-8(10)11)13-6-7-4-2-3-5-7;1-12-8(10)14-9(11)13-7-5-3-2-4-6-7;1-14(8(10)11)9(12)13-7-5-3-2-4-6-7;1-12-9(14-8(10)11)13-7-5-3-2-4-6-7;10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;9-7(10)13-8(11)12-6-4-2-1-3-5-6/h2*8H,3-7H2,1-2H3,(H4,11,12,13,14);8H,2-7H2,1H3,(H3,11,12)(H2,13,14);7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,2-6H2,1H3,(H3,10,11)(H2,12,13);2*7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,2-6H2,1H3,(H3,10,11)(H2,12,13);7H,2-6H2,1H3,(H5,10,11,12,13,14);7H,1-6H2,(H6,10,11,12,13,14);6H,1-5H2,(H6,9,10,11,12,13).
What are the key properties of 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine?
1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine has a molecular weight of 2198.20 g/mol, XLogP of 3.02, 17 rotatable bonds, 32 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine is sourced from PubChem (CID 176534515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).