2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine

C16H23N — CID 129311864

IUPAC2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine
SMILESC/N=C/CC1(c2cc(C)cc(C)c2)CCCC1
InChIInChI=1S/C16H23N/c1-13-10-14(2)12-15(11-13)16(8-9-17-3)6-4-5-7-16/h9-12H,4-8H2,1-3H3/b17-9+
InChIKeyUQFDYDFSUIBYSR-RQZCQDPDSA-N
MW229.37 g/mol
LogP4.21
Rot. Bonds3

About 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine

2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine (PubChem CID 129311864) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine
PubChem CID129311864
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine
SMILESC/N=C/CC1(c2cc(C)cc(C)c2)CCCC1
InChIInChI=1S/C16H23N/c1-13-10-14(2)12-15(11-13)16(8-9-17-3)6-4-5-7-16/h9-12H,4-8H2,1-3H3/b17-9+
InChIKeyUQFDYDFSUIBYSR-RQZCQDPDSA-N
XLogP4.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
CID 63511415
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511073
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
CID 62595536
2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile
CID 129285142
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387
[1-(3,5-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353499
4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol
CID 170054066
1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine
CID 60919060
3-(3,5-dimethylphenyl)piperidin-3-amine
CID 165356596
(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 125443802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine (CID 129311864) is 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine is C/N=C/CC1(c2cc(C)cc(C)c2)CCCC1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine?
The InChIKey is UQFDYDFSUIBYSR-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H23N/c1-13-10-14(2)12-15(11-13)16(8-9-17-3)6-4-5-7-16/h9-12H,4-8H2,1-3H3/b17-9+.
What are the key properties of 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine?
2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine has a molecular weight of 229.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine is sourced from PubChem (CID 129311864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).