1-benzyl-4-methylpyrrolidin-3-amine

C12H18N2 — CID 14211241

IUPAC1-benzyl-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccccc2)CC1N
InChIInChI=1S/C12H18N2/c1-10-7-14(9-12(10)13)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKeyNFZIZQCPMPUVFT-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.47
Rot. Bonds2

About 1-benzyl-4-methylpyrrolidin-3-amine

1-benzyl-4-methylpyrrolidin-3-amine (PubChem CID 14211241) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-benzyl-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-4-methylpyrrolidin-3-amine
PubChem CID14211241
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-benzyl-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccccc2)CC1N
InChIInChI=1S/C12H18N2/c1-10-7-14(9-12(10)13)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKeyNFZIZQCPMPUVFT-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

1-Benzylpiperazine
CID 75994
Isopropylbenzylamine
CID 66024
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
2-Phenylpyrrolidine
CID 261892
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
N-Butylbenzylamine
CID 75467
N-Benzylethylenediamine
CID 77801
N-Methyl-1-phenylethylamine
CID 577403
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-benzyl-4-methylpyrrolidin-3-amine (CID 14211241) is 1-benzyl-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccccc2)CC1N.
What is the InChIKey of 1-benzyl-4-methylpyrrolidin-3-amine?
The InChIKey is NFZIZQCPMPUVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-7-14(9-12(10)13)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3.
What are the key properties of 1-benzyl-4-methylpyrrolidin-3-amine?
1-benzyl-4-methylpyrrolidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 14211241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).