2-cyclohexyl-4-heptylimidazole-1,5-diamine

C16H30N4 — CID 63468221

IUPAC2-cyclohexyl-4-heptylimidazole-1,5-diamine
SMILESCCCCCCCc1nc(C2CCCCC2)n(N)c1N
InChIInChI=1S/C16H30N4/c1-2-3-4-5-9-12-14-15(17)20(18)16(19-14)13-10-7-6-8-11-13/h13H,2-12,17-18H2,1H3
InChIKeyLANDYYMZSHBOKC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.74
Rot. Bonds7

About 2-cyclohexyl-4-heptylimidazole-1,5-diamine

2-cyclohexyl-4-heptylimidazole-1,5-diamine (PubChem CID 63468221) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-cyclohexyl-4-heptylimidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-4-heptylimidazole-1,5-diamine
PubChem CID63468221
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-cyclohexyl-4-heptylimidazole-1,5-diamine
SMILESCCCCCCCc1nc(C2CCCCC2)n(N)c1N
InChIInChI=1S/C16H30N4/c1-2-3-4-5-9-12-14-15(17)20(18)16(19-14)13-10-7-6-8-11-13/h13H,2-12,17-18H2,1H3
InChIKeyLANDYYMZSHBOKC-UHFFFAOYSA-N
XLogP3.74
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-heptylimidazole-1,5-diamine?
The IUPAC name of 2-cyclohexyl-4-heptylimidazole-1,5-diamine (CID 63468221) is 2-cyclohexyl-4-heptylimidazole-1,5-diamine.
What is the SMILES notation for 2-cyclohexyl-4-heptylimidazole-1,5-diamine?
The canonical SMILES for 2-cyclohexyl-4-heptylimidazole-1,5-diamine is CCCCCCCc1nc(C2CCCCC2)n(N)c1N.
What is the InChIKey of 2-cyclohexyl-4-heptylimidazole-1,5-diamine?
The InChIKey is LANDYYMZSHBOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-2-3-4-5-9-12-14-15(17)20(18)16(19-14)13-10-7-6-8-11-13/h13H,2-12,17-18H2,1H3.
What are the key properties of 2-cyclohexyl-4-heptylimidazole-1,5-diamine?
2-cyclohexyl-4-heptylimidazole-1,5-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-heptylimidazole-1,5-diamine is sourced from PubChem (CID 63468221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).