2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine

C15H24N2 — CID 117018668

IUPAC2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
SMILESCC1(C)CC(CCN)CN1Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-15(2)10-14(8-9-16)12-17(15)11-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3
InChIKeyPKLIIBAWVIEQEH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.64
Rot. Bonds4

About 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine

2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine (PubChem CID 117018668) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
PubChem CID117018668
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
SMILESCC1(C)CC(CCN)CN1Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-15(2)10-14(8-9-16)12-17(15)11-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3
InChIKeyPKLIIBAWVIEQEH-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
CID 117021321
2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
CID 117018523
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
CID 117021153
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
CID 117018662

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine (CID 117018668) is 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine is CC1(C)CC(CCN)CN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine?
The InChIKey is PKLIIBAWVIEQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2)10-14(8-9-16)12-17(15)11-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3.
What are the key properties of 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine?
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 117018668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).