1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine

C16H26N2 — CID 64501771

IUPAC1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccccc1CN(C)C1(CN)CCC(C)C1
InChIInChI=1S/C16H26N2/c1-13-8-9-16(10-13,12-17)18(3)11-15-7-5-4-6-14(15)2/h4-7,13H,8-12,17H2,1-3H3
InChIKeyNTPLSVJDWFAMMF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.94
Rot. Bonds4

About 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64501771) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID64501771
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccccc1CN(C)C1(CN)CCC(C)C1
InChIInChI=1S/C16H26N2/c1-13-8-9-16(10-13,12-17)18(3)11-15-7-5-4-6-14(15)2/h4-7,13H,8-12,17H2,1-3H3
InChIKeyNTPLSVJDWFAMMF-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine (CID 64501771) is 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine is Cc1ccccc1CN(C)C1(CN)CCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NTPLSVJDWFAMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-8-9-16(10-13,12-17)18(3)11-15-7-5-4-6-14(15)2/h4-7,13H,8-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64501771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).