N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine

C14H22N2 — CID 3157145

IUPACN-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1ccccc1
InChIInChI=1S/C14H22N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
InChIKeyJMWQMSVWBMUOHQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds5

About N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine

N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 3157145) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID3157145
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1ccccc1
InChIInChI=1S/C14H22N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
InChIKeyJMWQMSVWBMUOHQ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 3157145) is N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCc1ccccc1.
What is the InChIKey of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is JMWQMSVWBMUOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3.
What are the key properties of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 3157145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).