1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine

C17H25N — CID 116661499

IUPAC1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
SMILESCNC(CC1=CCCCC1)Cc1cccc(C)c1
InChIInChI=1S/C17H25N/c1-14-7-6-10-16(11-14)13-17(18-2)12-15-8-4-3-5-9-15/h6-8,10-11,17-18H,3-5,9,12-13H2,1-2H3
InChIKeyNQNDEOQYNQAXEX-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.02
Rot. Bonds5

About 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine

1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine (PubChem CID 116661499) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
PubChem CID116661499
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
SMILESCNC(CC1=CCCCC1)Cc1cccc(C)c1
InChIInChI=1S/C17H25N/c1-14-7-6-10-16(11-14)13-17(18-2)12-15-8-4-3-5-9-15/h6-8,10-11,17-18H,3-5,9,12-13H2,1-2H3
InChIKeyNQNDEOQYNQAXEX-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.02
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]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine
CID 107309054
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
[1-(cyclohexen-1-yl)-3-phenylpropan-2-yl]hydrazine
CID 105269855
1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 103049107
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
[1-(cyclohexen-1-yl)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105269865
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine (CID 116661499) is 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine is CNC(CC1=CCCCC1)Cc1cccc(C)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
The InChIKey is NQNDEOQYNQAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14-7-6-10-16(11-14)13-17(18-2)12-15-8-4-3-5-9-15/h6-8,10-11,17-18H,3-5,9,12-13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.02, 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)-N-methyl-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 116661499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).