3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine

C14H23N3 — CID 62975093

IUPAC3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(CN)(N(C)Cc2ccccc2)C1
InChIInChI=1S/C14H23N3/c1-16-9-8-14(11-15,12-16)17(2)10-13-6-4-3-5-7-13/h3-7H,8-12,15H2,1-2H3
InChIKeyMUINSZJBOOKRAI-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.15
Rot. Bonds4

About 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine (PubChem CID 62975093) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
PubChem CID62975093
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(CN)(N(C)Cc2ccccc2)C1
InChIInChI=1S/C14H23N3/c1-16-9-8-14(11-15,12-16)17(2)10-13-6-4-3-5-7-13/h3-7H,8-12,15H2,1-2H3
InChIKeyMUINSZJBOOKRAI-UHFFFAOYSA-N
XLogP1.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine (CID 62975093) is 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine is CN1CCC(CN)(N(C)Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is MUINSZJBOOKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-9-8-14(11-15,12-16)17(2)10-13-6-4-3-5-7-13/h3-7H,8-12,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 62975093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).