N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine

C16H25N — CID 81033025

IUPACN-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-4-17-11-14-6-5-7-16(14)15-9-12(2)8-13(3)10-15/h8-10,14,16-17H,4-7,11H2,1-3H3
InChIKeyLKTSJXPEJGVUKQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds4

About N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine

N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine (PubChem CID 81033025) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
PubChem CID81033025
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-4-17-11-14-6-5-7-16(14)15-9-12(2)8-13(3)10-15/h8-10,14,16-17H,4-7,11H2,1-3H3
InChIKeyLKTSJXPEJGVUKQ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine (CID 81033025) is N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1c1cc(C)cc(C)c1.
What is the InChIKey of N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine?
The InChIKey is LKTSJXPEJGVUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-17-11-14-6-5-7-16(14)15-9-12(2)8-13(3)10-15/h8-10,14,16-17H,4-7,11H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine?
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81033025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).