1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine

C18H27N — CID 116661527

IUPAC1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)CC1=CCCCC1
InChIInChI=1S/C18H27N/c1-19-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2,4-5,9-11,18-19H,3,6-8,12-15H2,1H3
InChIKeyDANCJTMVNCXKPA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.49
Rot. Bonds7

About 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine

1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine (PubChem CID 116661527) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
PubChem CID116661527
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)CC1=CCCCC1
InChIInChI=1S/C18H27N/c1-19-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2,4-5,9-11,18-19H,3,6-8,12-15H2,1H3
InChIKeyDANCJTMVNCXKPA-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.49
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-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine
CID 114857021
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
[1-(cyclohexen-1-yl)-3-phenylpropan-2-yl]hydrazine
CID 105269855
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine
CID 65135577
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine (CID 116661527) is 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine is CNC(CCCc1ccccc1)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine?
The InChIKey is DANCJTMVNCXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-19-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2,4-5,9-11,18-19H,3,6-8,12-15H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine?
1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine is sourced from PubChem (CID 116661527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).