2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline

C14H22N2 — CID 107105831

IUPAC2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline
SMILESCc1cccc(CN)c1NC1CCC(C)C1
InChIInChI=1S/C14H22N2/c1-10-6-7-13(8-10)16-14-11(2)4-3-5-12(14)9-15/h3-5,10,13,16H,6-9,15H2,1-2H3
InChIKeyJDWSDHYHTUDXHK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.05
Rot. Bonds3

About 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline

2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline (PubChem CID 107105831) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline
PubChem CID107105831
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline
SMILESCc1cccc(CN)c1NC1CCC(C)C1
InChIInChI=1S/C14H22N2/c1-10-6-7-13(8-10)16-14-11(2)4-3-5-12(14)9-15/h3-5,10,13,16H,6-9,15H2,1-2H3
InChIKeyJDWSDHYHTUDXHK-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline (CID 107105831) is 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline is Cc1cccc(CN)c1NC1CCC(C)C1.
What is the InChIKey of 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline?
The InChIKey is JDWSDHYHTUDXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-6-7-13(8-10)16-14-11(2)4-3-5-12(14)9-15/h3-5,10,13,16H,6-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline?
2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-methyl-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 107105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).