N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine

C19H29N — CID 43766361

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
SMILESCCCCC(NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-2-3-14-19(18-12-8-5-9-13-18)20-16-15-17-10-6-4-7-11-17/h5,8-10,12-13,19-20H,2-4,6-7,11,14-16H2,1H3
InChIKeyKPASOOCTSZUIRO-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.40
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine (PubChem CID 43766361) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
PubChem CID43766361
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
SMILESCCCCC(NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-2-3-14-19(18-12-8-5-9-13-18)20-16-15-17-10-6-4-7-11-17/h5,8-10,12-13,19-20H,2-4,6-7,11,14-16H2,1H3
InChIKeyKPASOOCTSZUIRO-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
CID 54815769
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
CID 173292845

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine (CID 43766361) is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine is CCCCC(NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine?
The InChIKey is KPASOOCTSZUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-3-14-19(18-12-8-5-9-13-18)20-16-15-17-10-6-4-7-11-17/h5,8-10,12-13,19-20H,2-4,6-7,11,14-16H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine is sourced from PubChem (CID 43766361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).