1-carbamimidoyl-2-(7-ethylnonyl)guanidine

C13H29N5 — CID 176526827

IUPAC1-carbamimidoyl-2-(7-ethylnonyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCCC(CC)CC
InChIInChI=1S/C13H29N5/c1-3-11(4-2)9-7-5-6-8-10-17-13(16)18-12(14)15/h11H,3-10H2,1-2H3,(H6,14,15,16,17,18)
InChIKeyHUXPMMHYEFUCSV-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.17
Rot. Bonds9

About 1-carbamimidoyl-2-(7-ethylnonyl)guanidine

1-carbamimidoyl-2-(7-ethylnonyl)guanidine (PubChem CID 176526827) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(7-ethylnonyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(7-ethylnonyl)guanidine
PubChem CID176526827
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name1-carbamimidoyl-2-(7-ethylnonyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCCC(CC)CC
InChIInChI=1S/C13H29N5/c1-3-11(4-2)9-7-5-6-8-10-17-13(16)18-12(14)15/h11H,3-10H2,1-2H3,(H6,14,15,16,17,18)
InChIKeyHUXPMMHYEFUCSV-UHFFFAOYSA-N
XLogP2.17
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.17
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-ethylnonyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(7-ethylnonyl)guanidine (CID 176526827) is 1-carbamimidoyl-2-(7-ethylnonyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(7-ethylnonyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(7-ethylnonyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCCCCCC(CC)CC.
What is the InChIKey of 1-carbamimidoyl-2-(7-ethylnonyl)guanidine?
The InChIKey is HUXPMMHYEFUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-3-11(4-2)9-7-5-6-8-10-17-13(16)18-12(14)15/h11H,3-10H2,1-2H3,(H6,14,15,16,17,18).
What are the key properties of 1-carbamimidoyl-2-(7-ethylnonyl)guanidine?
1-carbamimidoyl-2-(7-ethylnonyl)guanidine has a molecular weight of 255.41 g/mol, XLogP of 2.17, 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-ethylnonyl)guanidine is sourced from PubChem (CID 176526827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).