3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine

C19H33N3 — CID 120780263

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1ccccc1)CC(C)(C)CN1CCC(C)(CN)C1
InChIInChI=1S/C19H33N3/c1-18(2,15-22-11-10-19(3,13-20)16-22)14-21(4)12-17-8-6-5-7-9-17/h5-9H,10-16,20H2,1-4H3
InChIKeyXQKFELWLOJAAME-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.82
Rot. Bonds7

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine (PubChem CID 120780263) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine
PubChem CID120780263
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1ccccc1)CC(C)(C)CN1CCC(C)(CN)C1
InChIInChI=1S/C19H33N3/c1-18(2,15-22-11-10-19(3,13-20)16-22)14-21(4)12-17-8-6-5-7-9-17/h5-9H,10-16,20H2,1-4H3
InChIKeyXQKFELWLOJAAME-UHFFFAOYSA-N
XLogP2.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756786
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 120967494
[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 120846989
[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846909
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120772368
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine (CID 120780263) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine is CN(Cc1ccccc1)CC(C)(C)CN1CCC(C)(CN)C1.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine?
The InChIKey is XQKFELWLOJAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-18(2,15-22-11-10-19(3,13-20)16-22)14-21(4)12-17-8-6-5-7-9-17/h5-9H,10-16,20H2,1-4H3.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine?
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine has a molecular weight of 303.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 120780263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).