N-[1-(aminomethyl)cyclopentyl]-4-methylaniline

C13H20N2 — CID 65379015

IUPACN-[1-(aminomethyl)cyclopentyl]-4-methylaniline
SMILESCc1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7,15H,2-3,8-10,14H2,1H3
InChIKeyWIUXIJGPSMLNHH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.68
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-methylaniline

N-[1-(aminomethyl)cyclopentyl]-4-methylaniline (PubChem CID 65379015) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-methylaniline
PubChem CID65379015
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-methylaniline
SMILESCc1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7,15H,2-3,8-10,14H2,1H3
InChIKeyWIUXIJGPSMLNHH-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methylaniline (CID 65379015) is N-[1-(aminomethyl)cyclopentyl]-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-methylaniline is Cc1ccc(NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-methylaniline?
The InChIKey is WIUXIJGPSMLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7,15H,2-3,8-10,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-methylaniline?
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-methylaniline is sourced from PubChem (CID 65379015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).