3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine

C15H25N3 — CID 130528368

IUPAC3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine
SMILESCC1CC(CN)(N(C)C)CN1Cc1ccccc1
InChIInChI=1S/C15H25N3/c1-13-9-15(11-16,17(2)3)12-18(13)10-14-7-5-4-6-8-14/h4-8,13H,9-12,16H2,1-3H3
InChIKeyACZALFVIPFMXKA-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds4

About 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine

3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine (PubChem CID 130528368) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine
PubChem CID130528368
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine
SMILESCC1CC(CN)(N(C)C)CN1Cc1ccccc1
InChIInChI=1S/C15H25N3/c1-13-9-15(11-16,17(2)3)12-18(13)10-14-7-5-4-6-8-14/h4-8,13H,9-12,16H2,1-3H3
InChIKeyACZALFVIPFMXKA-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine
CID 112742877
3-(aminomethyl)-N,N,1,5-tetramethylpyrrolidin-3-amine
CID 81467881
[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
CID 112742858
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
CID 164646664
3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
CID 81467474
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-3-(4-bromoanilino)-5-methylpyrrolidine-3-carboxamide
CID 112742893

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine (CID 130528368) is 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine is CC1CC(CN)(N(C)C)CN1Cc1ccccc1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine?
The InChIKey is ACZALFVIPFMXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-9-15(11-16,17(2)3)12-18(13)10-14-7-5-4-6-8-14/h4-8,13H,9-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine?
3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 130528368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).