2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine

C14H31N5 — CID 134427483

IUPAC2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine
SMILESCC(C)CCC/N=C(\N)N/C(N)=N/CCCC(C)C
InChIInChI=1S/C14H31N5/c1-11(2)7-5-9-17-13(15)19-14(16)18-10-6-8-12(3)4/h11-12H,5-10H2,1-4H3,(H5,15,16,17,18,19)
InChIKeyXXSPZSVDDDHAAE-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.08
Rot. Bonds8

About 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine

2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine (PubChem CID 134427483) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine
PubChem CID134427483
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine
SMILESCC(C)CCC/N=C(\N)N/C(N)=N/CCCC(C)C
InChIInChI=1S/C14H31N5/c1-11(2)7-5-9-17-13(15)19-14(16)18-10-6-8-12(3)4/h11-12H,5-10H2,1-4H3,(H5,15,16,17,18,19)
InChIKeyXXSPZSVDDDHAAE-UHFFFAOYSA-N
XLogP2.08
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
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 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine?
The IUPAC name of 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine (CID 134427483) is 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine.
What is the SMILES notation for 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine?
The canonical SMILES for 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine is CC(C)CCC/N=C(\N)N/C(N)=N/CCCC(C)C.
What is the InChIKey of 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine?
The InChIKey is XXSPZSVDDDHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-11(2)7-5-9-17-13(15)19-14(16)18-10-6-8-12(3)4/h11-12H,5-10H2,1-4H3,(H5,15,16,17,18,19).
What are the key properties of 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine?
2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine has a molecular weight of 269.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-1-[N'-(4-methylpentyl)carbamimidoyl]guanidine is sourced from PubChem (CID 134427483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).