N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine

C13H23N3 — CID 11521414

IUPACN-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine
SMILESc1ncc(CCCCNC2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1-2-6-12(7-3-1)15-9-5-4-8-13-10-14-11-16-13/h10-12,15H,1-9H2,(H,14,16)
InChIKeyMJTKHTWGWXGNME-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds6

About N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine

N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine (PubChem CID 11521414) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine
PubChem CID11521414
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine
SMILESc1ncc(CCCCNC2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1-2-6-12(7-3-1)15-9-5-4-8-13-10-14-11-16-13/h10-12,15H,1-9H2,(H,14,16)
InChIKeyMJTKHTWGWXGNME-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine?
The IUPAC name of N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine (CID 11521414) is N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine is c1ncc(CCCCNC2CCCCC2)[nH]1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine?
The InChIKey is MJTKHTWGWXGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-6-12(7-3-1)15-9-5-4-8-13-10-14-11-16-13/h10-12,15H,1-9H2,(H,14,16).
What are the key properties of N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine?
N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)butyl]cyclohexanamine is sourced from PubChem (CID 11521414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).