2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine

C16H26N2 — CID 62614486

IUPAC2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
SMILESCCN(Cc1ccccc1)CC1CCCC1NC
InChIInChI=1S/C16H26N2/c1-3-18(12-14-8-5-4-6-9-14)13-15-10-7-11-16(15)17-2/h4-6,8-9,15-17H,3,7,10-13H2,1-2H3
InChIKeyJLSDIHIXVZVONL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds6

About 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine

2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine (PubChem CID 62614486) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
PubChem CID62614486
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
SMILESCCN(Cc1ccccc1)CC1CCCC1NC
InChIInChI=1S/C16H26N2/c1-3-18(12-14-8-5-4-6-9-14)13-15-10-7-11-16(15)17-2/h4-6,8-9,15-17H,3,7,10-13H2,1-2H3
InChIKeyJLSDIHIXVZVONL-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine (CID 62614486) is 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine is CCN(Cc1ccccc1)CC1CCCC1NC.
What is the InChIKey of 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine?
The InChIKey is JLSDIHIXVZVONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(12-14-8-5-4-6-9-14)13-15-10-7-11-16(15)17-2/h4-6,8-9,15-17H,3,7,10-13H2,1-2H3.
What are the key properties of 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine?
2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 62614486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).