1-(2-phenylcyclopropyl)-N-propyloctan-1-amine

C20H33N — CID 115832271

IUPAC1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)C1CC1c1ccccc1
InChIInChI=1S/C20H33N/c1-3-5-6-7-11-14-20(21-15-4-2)19-16-18(19)17-12-9-8-10-13-17/h8-10,12-13,18-21H,3-7,11,14-16H2,1-2H3
InChIKeyZBDFDOGCAACWHV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.52
Rot. Bonds11

About 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine

1-(2-phenylcyclopropyl)-N-propyloctan-1-amine (PubChem CID 115832271) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
PubChem CID115832271
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)C1CC1c1ccccc1
InChIInChI=1S/C20H33N/c1-3-5-6-7-11-14-20(21-15-4-2)19-16-18(19)17-12-9-8-10-13-17/h8-10,12-13,18-21H,3-7,11,14-16H2,1-2H3
InChIKeyZBDFDOGCAACWHV-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105024327
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216465
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine (CID 115832271) is 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine?
The InChIKey is ZBDFDOGCAACWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-6-7-11-14-20(21-15-4-2)19-16-18(19)17-12-9-8-10-13-17/h8-10,12-13,18-21H,3-7,11,14-16H2,1-2H3.
What are the key properties of 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine?
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-N-propyloctan-1-amine is sourced from PubChem (CID 115832271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).