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

C15H23N — CID 82471973

IUPAC1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(c2cc(C)ccc2C)CCCC1
InChIInChI=1S/C15H23N/c1-12-6-7-13(2)14(10-12)15(11-16-3)8-4-5-9-15/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyGMDMTMZSAUDJMZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.33
Rot. Bonds3

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

1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine (PubChem CID 82471973) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
PubChem CID82471973
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(c2cc(C)ccc2C)CCCC1
InChIInChI=1S/C15H23N/c1-12-6-7-13(2)14(10-12)15(11-16-3)8-4-5-9-15/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyGMDMTMZSAUDJMZ-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
CID 82475681
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 116963674
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007206
1-[1-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 62595690
2-[1-(2,5-dimethylphenyl)-2-ethylcyclohexyl]-N-methylethanamine
CID 142899731
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine (CID 82471973) is 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine is CNCC1(c2cc(C)ccc2C)CCCC1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine?
The InChIKey is GMDMTMZSAUDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-6-7-13(2)14(10-12)15(11-16-3)8-4-5-9-15/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine?
1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 82471973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).