1-benzyl-N-pentan-3-ylpyrrolidin-3-amine

C16H26N2 — CID 43150638

IUPAC1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
SMILESCCC(CC)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-15(4-2)17-16-10-11-18(13-16)12-14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13H2,1-2H3
InChIKeyLBEJWLQRYJTGEN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds6

About 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine

1-benzyl-N-pentan-3-ylpyrrolidin-3-amine (PubChem CID 43150638) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
PubChem CID43150638
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
SMILESCCC(CC)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-15(4-2)17-16-10-11-18(13-16)12-14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13H2,1-2H3
InChIKeyLBEJWLQRYJTGEN-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 115901640
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
CID 113223845
1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine
CID 104652483
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine (CID 43150638) is 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine is CCC(CC)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine?
The InChIKey is LBEJWLQRYJTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-15(4-2)17-16-10-11-18(13-16)12-14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13H2,1-2H3.
What are the key properties of 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine?
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-pentan-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 43150638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).