1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine

C16H40N12 — CID 176538170

IUPAC1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine
SMILES[H]/N=C(\N)N(CCCCCCCCCCCC)N=C(N)N.[H]/N=C(\N)NN/C(N)=N/[H]
InChIInChI=1S/C14H32N6.C2H8N6/c1-2-3-4-5-6-7-8-9-10-11-12-20(14(17)18)19-13(15)16;3-1(4)7-8-2(5)6/h2-12H2,1H3,(H3,17,18)(H4,15,16,19);(H4,3,4,7)(H4,5,6,8)
InChIKeyJFUBRNAFMMJJFH-UHFFFAOYSA-N
MW400.58 g/mol
LogP0.16
Rot. Bonds12

About 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine

1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine (PubChem CID 176538170) has the molecular formula C16H40N12 and a molecular weight of 400.58 g/mol. Its IUPAC name is 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine.

Molecular Properties

Compound Name1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine
PubChem CID176538170
Molecular FormulaC16H40N12
Molecular Weight400.58 g/mol
Exact Mass400.35
IUPAC Name1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine
SMILES[H]/N=C(\N)N(CCCCCCCCCCCC)N=C(N)N.[H]/N=C(\N)NN/C(N)=N/[H]
InChIInChI=1S/C14H32N6.C2H8N6/c1-2-3-4-5-6-7-8-9-10-11-12-20(14(17)18)19-13(15)16;3-1(4)7-8-2(5)6/h2-12H2,1H3,(H3,17,18)(H4,15,16,19);(H4,3,4,7)(H4,5,6,8)
InChIKeyJFUBRNAFMMJJFH-UHFFFAOYSA-N
XLogP0.16
TPSA241.31 Ų
H-Bond Donors10
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.58
LogP ≤ 50.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine
CID 57191838
1-carbamimidamido-2-hexylguanidine
CID 176532426
1-amino-1-heptadecylguanidine
CID 141113274
1-amino-1-dodecylguanidine
CID 141286246
acetic acid;1,1-dioctylguanidine
CID 71338115
1-(diaminomethylideneamino)-1-prop-2-enylguanidine
CID 91460470
acetic acid;1-dodecyl-1-methylguanidine
CID 23124067
3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541
5-carbamimidamido-2-[(diaminomethylideneamino)-pentylamino]pentanoic acid
CID 176537261
sodium 2-[carbamimidoyl(tridecyl)amino]acetate
CID 25029236

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine?
The IUPAC name of 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine (CID 176538170) is 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine.
What is the SMILES notation for 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine?
The canonical SMILES for 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine is [H]/N=C(\N)N(CCCCCCCCCCCC)N=C(N)N.[H]/N=C(\N)NN/C(N)=N/[H].
What is the InChIKey of 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine?
The InChIKey is JFUBRNAFMMJJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N6.C2H8N6/c1-2-3-4-5-6-7-8-9-10-11-12-20(14(17)18)19-13(15)16;3-1(4)7-8-2(5)6/h2-12H2,1H3,(H3,17,18)(H4,15,16,19);(H4,3,4,7)(H4,5,6,8).
What are the key properties of 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine?
1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine has a molecular weight of 400.58 g/mol, XLogP of 0.16, 12 rotatable bonds, 10 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine is sourced from PubChem (CID 176538170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).