3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide

C8H18N2O2 — CID 104551595

IUPAC3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)C(C)CO
InChIInChI=1S/C8H18N2O2/c1-6(4-9)8(12)10(3)7(2)5-11/h6-7,11H,4-5,9H2,1-3H3
InChIKeyDUSKWAKIDZKZIX-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.58
Rot. Bonds4

About 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide

3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide (PubChem CID 104551595) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
PubChem CID104551595
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)C(C)CO
InChIInChI=1S/C8H18N2O2/c1-6(4-9)8(12)10(3)7(2)5-11/h6-7,11H,4-5,9H2,1-3H3
InChIKeyDUSKWAKIDZKZIX-UHFFFAOYSA-N
XLogP-0.58
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
CID 104551700
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104551991
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
N-(1-aminopropan-2-yl)-3-cyclopentyl-N,2-dimethylpropanamide;hydrochloride
CID 119582687
2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
CID 104551608
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide (CID 104551595) is 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide is CC(CN)C(=O)N(C)C(C)CO.
What is the InChIKey of 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide?
The InChIKey is DUSKWAKIDZKZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(4-9)8(12)10(3)7(2)5-11/h6-7,11H,4-5,9H2,1-3H3.
What are the key properties of 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide?
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide has a molecular weight of 174.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 104551595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).