1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine

C16H24N2 — CID 43298230

IUPAC1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCC3CCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-5-15(6-3-1)12-18-10-9-16(13-18)17-11-14-7-4-8-14/h1-3,5-6,14,16-17H,4,7-13H2
InChIKeyOFNODBUHKOOXPJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.65
Rot. Bonds5

About 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine

1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine (PubChem CID 43298230) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
PubChem CID43298230
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCC3CCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-5-15(6-3-1)12-18-10-9-16(13-18)17-11-14-7-4-8-14/h1-3,5-6,14,16-17H,4,7-13H2
InChIKeyOFNODBUHKOOXPJ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-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

1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417487
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
CID 62065627
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine (CID 43298230) is 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine is c1ccc(CN2CCC(NCC3CCC3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine?
The InChIKey is OFNODBUHKOOXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-5-15(6-3-1)12-18-10-9-16(13-18)17-11-14-7-4-8-14/h1-3,5-6,14,16-17H,4,7-13H2.
What are the key properties of 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine?
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 43298230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).