3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine

C21H35NO — CID 91290065

IUPAC3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine
SMILESCOCCCCNCCC(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H35NO/c1-23-17-9-8-15-22-16-14-21(20-12-6-3-7-13-20)18-19-10-4-2-5-11-19/h2,4-5,10-11,20-22H,3,6-9,12-18H2,1H3
InChIKeyXAZPCULXOGZJOF-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.83
Rot. Bonds11

About 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine

3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine (PubChem CID 91290065) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine
PubChem CID91290065
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine
SMILESCOCCCCNCCC(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H35NO/c1-23-17-9-8-15-22-16-14-21(20-12-6-3-7-13-20)18-19-10-4-2-5-11-19/h2,4-5,10-11,20-22H,3,6-9,12-18H2,1H3
InChIKeyXAZPCULXOGZJOF-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
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 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine?
The IUPAC name of 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine (CID 91290065) is 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine is COCCCCNCCC(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine?
The InChIKey is XAZPCULXOGZJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-23-17-9-8-15-22-16-14-21(20-12-6-3-7-13-20)18-19-10-4-2-5-11-19/h2,4-5,10-11,20-22H,3,6-9,12-18H2,1H3.
What are the key properties of 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine?
3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine has a molecular weight of 317.52 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 91290065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).