3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide

C10H22N2O2 — CID 110878963

IUPAC3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
SMILESCCC(CO)NC(C)CC(=O)N(C)C
InChIInChI=1S/C10H22N2O2/c1-5-9(7-13)11-8(2)6-10(14)12(3)4/h8-9,11,13H,5-7H2,1-4H3
InChIKeyJLKIVNAJIPDIRA-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.21
Rot. Bonds6

About 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide

3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide (PubChem CID 110878963) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
PubChem CID110878963
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
SMILESCCC(CO)NC(C)CC(=O)N(C)C
InChIInChI=1S/C10H22N2O2/c1-5-9(7-13)11-8(2)6-10(14)12(3)4/h8-9,11,13H,5-7H2,1-4H3
InChIKeyJLKIVNAJIPDIRA-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
3-[(2S)-1-hydroxybutan-2-yl]-1,1-dimethylurea
CID 104981793
3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
CID 115920632
3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide
CID 115719724
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
3-(1-hydroxybutan-2-ylamino)-2-methylbutanoic acid
CID 79392374
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide (CID 110878963) is 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide is CCC(CO)NC(C)CC(=O)N(C)C.
What is the InChIKey of 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide?
The InChIKey is JLKIVNAJIPDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-9(7-13)11-8(2)6-10(14)12(3)4/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide?
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 110878963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).