2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane

C11H26N2O — CID 171517264

IUPAC2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
SMILESCC.CCC(CN(C)C)C(=O)N(C)C
InChIInChI=1S/C9H20N2O.C2H6/c1-6-8(7-10(2)3)9(12)11(4)5;1-2/h8H,6-7H2,1-5H3;1-2H3
InChIKeyOHSUPMRKKFUFLY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.69
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane

2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane (PubChem CID 171517264) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
PubChem CID171517264
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
SMILESCC.CCC(CN(C)C)C(=O)N(C)C
InChIInChI=1S/C9H20N2O.C2H6/c1-6-8(7-10(2)3)9(12)11(4)5;1-2/h8H,6-7H2,1-5H3;1-2H3
InChIKeyOHSUPMRKKFUFLY-UHFFFAOYSA-N
XLogP1.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N,N-dimethylhexanamide
CID 3019000
3-(dimethylamino)-2-hydroxy-N,N-dimethylpropanamide
CID 23815469
2-[(dimethylamino)methyl]butanoic acid;methanediimine;hydrochloride
CID 160536881
N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide
CID 23104527
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
2-amino-N,N-dimethylbutanamide
CID 43649466
2-fluoro-N,N-dimethylbutanamide
CID 14592376
N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide
CID 153397334
1-(2,6-difluorophenyl)-2-[(dimethylamino)methyl]butan-1-one
CID 67667335
ethane;2-ethylbutanoic acid
CID 142229949
2-(aminomethyl)-3-(dimethylamino)propanoic acid
CID 151961151

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane?
The IUPAC name of 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane (CID 171517264) is 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane?
The canonical SMILES for 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane is CC.CCC(CN(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane?
The InChIKey is OHSUPMRKKFUFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-6-8(7-10(2)3)9(12)11(4)5;1-2/h8H,6-7H2,1-5H3;1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane?
2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane has a molecular weight of 202.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane is sourced from PubChem (CID 171517264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).