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

C10H22N2O2 — CID 104551690

IUPAC2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
SMILESCC(CO)N(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(6-13)12(5)9(14)8(11)10(2,3)4/h7-8,13H,6,11H2,1-5H3
InChIKeyPGSGTLSHYSXZGI-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.20
Rot. Bonds3

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

2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide (PubChem CID 104551690) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
PubChem CID104551690
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
SMILESCC(CO)N(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(6-13)12(5)9(14)8(11)10(2,3)4/h7-8,13H,6,11H2,1-5H3
InChIKeyPGSGTLSHYSXZGI-UHFFFAOYSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
CID 104551700
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
CID 104551595
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
ethyl (E)-4-[(2-amino-3,3-dimethylbutanoyl)-methylamino]-2,5-dimethylhex-2-enoate
CID 21031981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide (CID 104551690) is 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide is CC(CO)N(C)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide?
The InChIKey is PGSGTLSHYSXZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(6-13)12(5)9(14)8(11)10(2,3)4/h7-8,13H,6,11H2,1-5H3.
What are the key properties of 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide?
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 104551690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).