1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine

C15H23N — CID 107416782

IUPAC1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCC2C)cc1
InChIInChI=1S/C15H23N/c1-12-6-8-14(9-7-12)10-16-11-15-5-3-4-13(15)2/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyROKJZFXBEADQDH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine

1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 107416782) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
PubChem CID107416782
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCC2C)cc1
InChIInChI=1S/C15H23N/c1-12-6-8-14(9-7-12)10-16-11-15-5-3-4-13(15)2/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyROKJZFXBEADQDH-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine (CID 107416782) is 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CNCC2CCCC2C)cc1.
What is the InChIKey of 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is ROKJZFXBEADQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-6-8-14(9-7-12)10-16-11-15-5-3-4-13(15)2/h6-9,13,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine?
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 217.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 107416782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).