3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine

C15H25N3 — CID 117012449

IUPAC3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
SMILESCC(c1ccccc1)N1CCC(CN)(N(C)C)C1
InChIInChI=1S/C15H25N3/c1-13(14-7-5-4-6-8-14)18-10-9-15(11-16,12-18)17(2)3/h4-8,13H,9-12,16H2,1-3H3
InChIKeyPJBMJMKZPMGUGN-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.71
Rot. Bonds4

About 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine

3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine (PubChem CID 117012449) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
PubChem CID117012449
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
SMILESCC(c1ccccc1)N1CCC(CN)(N(C)C)C1
InChIInChI=1S/C15H25N3/c1-13(14-7-5-4-6-8-14)18-10-9-15(11-16,12-18)17(2)3/h4-8,13H,9-12,16H2,1-3H3
InChIKeyPJBMJMKZPMGUGN-UHFFFAOYSA-N
XLogP1.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 79476289
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine
CID 59203708
N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
CID 60542956
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine (CID 117012449) is 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine is CC(c1ccccc1)N1CCC(CN)(N(C)C)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
The InChIKey is PJBMJMKZPMGUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(14-7-5-4-6-8-14)18-10-9-15(11-16,12-18)17(2)3/h4-8,13H,9-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 117012449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).