2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine

C12H26N2 — CID 117017535

IUPAC2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine
SMILESCCCCN1CCC(CCN)C1(C)C
InChIInChI=1S/C12H26N2/c1-4-5-9-14-10-7-11(6-8-13)12(14,2)3/h11H,4-10,13H2,1-3H3
InChIKeyYWSJZTFABBCKAI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds5

About 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine

2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine (PubChem CID 117017535) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine
PubChem CID117017535
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine
SMILESCCCCN1CCC(CCN)C1(C)C
InChIInChI=1S/C12H26N2/c1-4-5-9-14-10-7-11(6-8-13)12(14,2)3/h11H,4-10,13H2,1-3H3
InChIKeyYWSJZTFABBCKAI-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 117017545
[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017613
1-(2,2-dimethyl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
CID 117017786
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2-(1-cyclopropyl-2,2-dimethylpiperidin-3-yl)ethanamine
CID 117019627
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
1-butyl-2,2,6,6-tetramethylpiperidin-3-amine
CID 142764448
2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
CID 84772418
tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 84801667
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
CID 117024798

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine (CID 117017535) is 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine is CCCCN1CCC(CCN)C1(C)C.
What is the InChIKey of 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine?
The InChIKey is YWSJZTFABBCKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-9-14-10-7-11(6-8-13)12(14,2)3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine?
2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 117017535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).