(1-benzylpyrrolidin-3-yl)methanamine

C12H18N2 — CID 3157467

IUPAC(1-benzylpyrrolidin-3-yl)methanamine
SMILESNCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKeySUAKIVNGQVUKJA-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.47
Rot. Bonds3

About (1-benzylpyrrolidin-3-yl)methanamine

(1-benzylpyrrolidin-3-yl)methanamine (PubChem CID 3157467) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl)methanamine
PubChem CID3157467
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1-benzylpyrrolidin-3-yl)methanamine
SMILESNCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKeySUAKIVNGQVUKJA-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-benzylpyrrolidin-3-yl)methanamine (CID 3157467) is (1-benzylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-benzylpyrrolidin-3-yl)methanamine is NCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl)methanamine?
The InChIKey is SUAKIVNGQVUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2.
What are the key properties of (1-benzylpyrrolidin-3-yl)methanamine?
(1-benzylpyrrolidin-3-yl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 3157467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).