1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine

C15H24N2 — CID 82390240

IUPAC1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12(2)15(16)14-8-9-17(11-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyAEJDDOMHKVVFAO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine

1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine (PubChem CID 82390240) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
PubChem CID82390240
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12(2)15(16)14-8-9-17(11-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyAEJDDOMHKVVFAO-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.49
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
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
CID 82380060
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine (CID 82390240) is 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine is CC(C)C(N)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine?
The InChIKey is AEJDDOMHKVVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)15(16)14-8-9-17(11-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine?
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82390240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).