3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol

C13H28N2O — CID 115277941

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCCN1CCCC1CN(C)CC(C)(C)CO
InChIInChI=1S/C13H28N2O/c1-5-15-8-6-7-12(15)9-14(4)10-13(2,3)11-16/h12,16H,5-11H2,1-4H3
InChIKeySAQOGKKRTMDFDQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds6

About 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115277941) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115277941
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCCN1CCCC1CN(C)CC(C)(C)CO
InChIInChI=1S/C13H28N2O/c1-5-15-8-6-7-12(15)9-14(4)10-13(2,3)11-16/h12,16H,5-11H2,1-4H3
InChIKeySAQOGKKRTMDFDQ-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 79315150
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol (CID 115277941) is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol is CCN1CCCC1CN(C)CC(C)(C)CO.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is SAQOGKKRTMDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15-8-6-7-12(15)9-14(4)10-13(2,3)11-16/h12,16H,5-11H2,1-4H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115277941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).