1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine

C18H28N2 — CID 107417487

IUPAC1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
SMILESCC1CCCC1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-15-6-5-9-17(15)12-19-18-10-11-20(14-18)13-16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyJNUFWPMZFMZTCQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.29
Rot. Bonds5

About 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine (PubChem CID 107417487) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
PubChem CID107417487
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
SMILESCC1CCCC1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-15-6-5-9-17(15)12-19-18-10-11-20(14-18)13-16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyJNUFWPMZFMZTCQ-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine (CID 107417487) is 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine is CC1CCCC1CNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine?
The InChIKey is JNUFWPMZFMZTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-6-5-9-17(15)12-19-18-10-11-20(14-18)13-16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 107417487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).