3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide

C13H28N2O — CID 115920632

IUPAC3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
SMILESCCC(CC)(CC)NC(C)CC(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-7-13(8-2,9-3)14-11(4)10-12(16)15(5)6/h11,14H,7-10H2,1-6H3
InChIKeyQZZLDUPDRGOVCK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds7

About 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide

3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide (PubChem CID 115920632) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
PubChem CID115920632
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
SMILESCCC(CC)(CC)NC(C)CC(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-7-13(8-2,9-3)14-11(4)10-12(16)15(5)6/h11,14H,7-10H2,1-6H3
InChIKeyQZZLDUPDRGOVCK-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
CID 62517979
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289
methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
CID 103952300
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide
CID 115928006
(3R)-N,N,3-trimethylhexanamide
CID 170848594
3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide
CID 115728485
3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
CID 115906805
3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide
CID 115719724

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide (CID 115920632) is 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide is CCC(CC)(CC)NC(C)CC(=O)N(C)C.
What is the InChIKey of 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide?
The InChIKey is QZZLDUPDRGOVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-13(8-2,9-3)14-11(4)10-12(16)15(5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide?
3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 115920632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).