2-(3,3-dimethylbutyl)-1-ethylpyrrolidine

C12H25N — CID 58110544

IUPAC2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1CCC(C)(C)C
InChIInChI=1S/C12H25N/c1-5-13-10-6-7-11(13)8-9-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyVBIKIXYXUYFXME-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine

2-(3,3-dimethylbutyl)-1-ethylpyrrolidine (PubChem CID 58110544) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
PubChem CID58110544
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1CCC(C)(C)C
InChIInChI=1S/C12H25N/c1-5-13-10-6-7-11(13)8-9-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyVBIKIXYXUYFXME-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
1,2-diethylpiperidine
CID 19604037
1-(4,4-dimethylpentyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 111637930
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine?
The IUPAC name of 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine (CID 58110544) is 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine is CCN1CCCC1CCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine?
The InChIKey is VBIKIXYXUYFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-13-10-6-7-11(13)8-9-12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine?
2-(3,3-dimethylbutyl)-1-ethylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-1-ethylpyrrolidine is sourced from PubChem (CID 58110544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).