4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine

C14H25N3 — CID 3116756

IUPAC4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCCCn2ccnc2)CC1
InChIInChI=1S/C14H25N3/c1-2-13-4-6-14(7-5-13)16-8-3-10-17-11-9-15-12-17/h9,11-14,16H,2-8,10H2,1H3
InChIKeyGEQNCPMUWRUNHY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.83
Rot. Bonds6

About 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine

4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine (PubChem CID 3116756) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine
PubChem CID3116756
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCCCn2ccnc2)CC1
InChIInChI=1S/C14H25N3/c1-2-13-4-6-14(7-5-13)16-8-3-10-17-11-9-15-12-17/h9,11-14,16H,2-8,10H2,1H3
InChIKeyGEQNCPMUWRUNHY-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine (CID 3116756) is 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine is CCC1CCC(NCCCn2ccnc2)CC1.
What is the InChIKey of 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine?
The InChIKey is GEQNCPMUWRUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-13-4-6-14(7-5-13)16-8-3-10-17-11-9-15-12-17/h9,11-14,16H,2-8,10H2,1H3.
What are the key properties of 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine?
4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-imidazol-1-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 3116756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).