1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine

C17H26N2 — CID 115690185

IUPAC1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCCC3CCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-16(6-3-1)13-19-12-10-17(14-19)18-11-9-15-7-4-8-15/h1-3,5-6,15,17-18H,4,7-14H2
InChIKeyVUMWAZDGNKLERH-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds6

About 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine

1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine (PubChem CID 115690185) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
PubChem CID115690185
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCCC3CCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-16(6-3-1)13-19-12-10-17(14-19)18-11-9-15-7-4-8-15/h1-3,5-6,15,17-18H,4,7-14H2
InChIKeyVUMWAZDGNKLERH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
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-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
CID 103992937
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417487
1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
CID 103709840
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine (CID 115690185) is 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine is c1ccc(CN2CCC(NCCC3CCC3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine?
The InChIKey is VUMWAZDGNKLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-5-16(6-3-1)13-19-12-10-17(14-19)18-11-9-15-7-4-8-15/h1-3,5-6,15,17-18H,4,7-14H2.
What are the key properties of 1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine?
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine has a molecular weight of 258.41 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-(2-cyclobutylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115690185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).