1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine

C24H31N — CID 90820478

IUPAC1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine
SMILESCc1ccc(CCc2ccccc2)cc1C(C1=CCCCC1)N(C)C
InChIInChI=1S/C24H31N/c1-19-14-15-21(17-16-20-10-6-4-7-11-20)18-23(19)24(25(2)3)22-12-8-5-9-13-22/h4,6-7,10-12,14-15,18,24H,5,8-9,13,16-17H2,1-3H3
InChIKeyPYVGOGWVSSZHSS-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.88
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine

1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine (PubChem CID 90820478) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine
PubChem CID90820478
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine
SMILESCc1ccc(CCc2ccccc2)cc1C(C1=CCCCC1)N(C)C
InChIInChI=1S/C24H31N/c1-19-14-15-21(17-16-20-10-6-4-7-11-20)18-23(19)24(25(2)3)22-12-8-5-9-13-22/h4,6-7,10-12,14-15,18,24H,5,8-9,13,16-17H2,1-3H3
InChIKeyPYVGOGWVSSZHSS-UHFFFAOYSA-N
XLogP5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
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)-4-phenylbutan-1-amine
CID 106657277
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
[(3R)-3-(cyclopenten-1-yl)heptyl]benzene
CID 72713164
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene
CID 142096371
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
[1-[(1E)-cycloocten-1-yl]-3-(3-methylphenyl)propyl]hydrazine
CID 106650129
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate
CID 10424123
[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
CID 106650256
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine (CID 90820478) is 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine is Cc1ccc(CCc2ccccc2)cc1C(C1=CCCCC1)N(C)C.
What is the InChIKey of 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine?
The InChIKey is PYVGOGWVSSZHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-19-14-15-21(17-16-20-10-6-4-7-11-20)18-23(19)24(25(2)3)22-12-8-5-9-13-22/h4,6-7,10-12,14-15,18,24H,5,8-9,13,16-17H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine?
1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine has a molecular weight of 333.52 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N,N-dimethyl-1-[2-methyl-5-(2-phenylethyl)phenyl]methanamine is sourced from PubChem (CID 90820478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).