2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine

C15H24N2 — CID 70113914

IUPAC2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
SMILESCC1(C)CN(Cc2ccccc2)CC1CCN
InChIInChI=1S/C15H24N2/c1-15(2)12-17(11-14(15)8-9-16)10-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3
InChIKeyMXPPAKGETMUZMM-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds4

About 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine

2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine (PubChem CID 70113914) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
PubChem CID70113914
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
SMILESCC1(C)CN(Cc2ccccc2)CC1CCN
InChIInChI=1S/C15H24N2/c1-15(2)12-17(11-14(15)8-9-16)10-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3
InChIKeyMXPPAKGETMUZMM-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781
(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
CID 117024792
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 124869772
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine (CID 70113914) is 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine is CC1(C)CN(Cc2ccccc2)CC1CCN.
What is the InChIKey of 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine?
The InChIKey is MXPPAKGETMUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2)12-17(11-14(15)8-9-16)10-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3.
What are the key properties of 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine?
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 70113914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).