1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine

C14H31N5 — CID 176540998

IUPAC1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCCC(C)(CC)CC
InChIInChI=1S/C14H31N5/c1-4-14(3,5-2)10-8-6-7-9-11-18-13(17)19-12(15)16/h4-11H2,1-3H3,(H6,15,16,17,18,19)
InChIKeyGVUVBYHGPMJQKA-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.56
Rot. Bonds9

About 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine

1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine (PubChem CID 176540998) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine
PubChem CID176540998
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCCC(C)(CC)CC
InChIInChI=1S/C14H31N5/c1-4-14(3,5-2)10-8-6-7-9-11-18-13(17)19-12(15)16/h4-11H2,1-3H3,(H6,15,16,17,18,19)
InChIKeyGVUVBYHGPMJQKA-UHFFFAOYSA-N
XLogP2.56
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine (CID 176540998) is 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCCCCCC(C)(CC)CC.
What is the InChIKey of 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine?
The InChIKey is GVUVBYHGPMJQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-4-14(3,5-2)10-8-6-7-9-11-18-13(17)19-12(15)16/h4-11H2,1-3H3,(H6,15,16,17,18,19).
What are the key properties of 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine?
1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine has a molecular weight of 269.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(7-ethyl-7-methylnonyl)guanidine is sourced from PubChem (CID 176540998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).