1-(cyclohexen-1-yl)-4-phenylbutan-1-amine

C16H23N — CID 106657277

IUPAC1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C16H23N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,11,16H,2,5-7,10,12-13,17H2
InChIKeyISDNZDZFBNXSJE-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds5

About 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine

1-(cyclohexen-1-yl)-4-phenylbutan-1-amine (PubChem CID 106657277) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
PubChem CID106657277
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C16H23N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,11,16H,2,5-7,10,12-13,17H2
InChIKeyISDNZDZFBNXSJE-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
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

1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-(cyclopenten-1-yl)pentan-1-amine
CID 62078864
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine
CID 90820478
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
CID 106652772
[(3R)-3-(cyclopenten-1-yl)heptyl]benzene
CID 72713164

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine (CID 106657277) is 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine is NC(CCCc1ccccc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine?
The InChIKey is ISDNZDZFBNXSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,11,16H,2,5-7,10,12-13,17H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine?
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 106657277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).