(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine

C14H22N2 — CID 10443395

IUPAC(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
SMILESCC[C@H](N)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-2-14(15)13-8-9-16(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,15H2,1H3/t13?,14-/m0/s1
InChIKeyWAPIAFPPPCMCQK-KZUDCZAMSA-N
MW218.34 g/mol
LogP2.25
Rot. Bonds4

About (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine

(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine (PubChem CID 10443395) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
PubChem CID10443395
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
SMILESCC[C@H](N)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-2-14(15)13-8-9-16(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,15H2,1H3/t13?,14-/m0/s1
InChIKeyWAPIAFPPPCMCQK-KZUDCZAMSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980822
1-(1-phenylpyrrolidin-3-yl)propan-1-amine
CID 83981120
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-ethylpyrrolidine
CID 12648208
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine (CID 10443395) is (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine is CC[C@H](N)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is WAPIAFPPPCMCQK-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-14(15)13-8-9-16(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,15H2,1H3/t13?,14-/m0/s1.
What are the key properties of (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine?
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 10443395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).