N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide

C11H23N3O2 — CID 76953621

IUPACN-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
SMILESCCC(CC(N)=NO)NC(=O)C(C)(C)CC
InChIInChI=1S/C11H23N3O2/c1-5-8(7-9(12)14-16)13-10(15)11(3,4)6-2/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyHATZKIOKIJXZDK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.45
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide

N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide (PubChem CID 76953621) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
PubChem CID76953621
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
SMILESCCC(CC(N)=NO)NC(=O)C(C)(C)CC
InChIInChI=1S/C11H23N3O2/c1-5-8(7-9(12)14-16)13-10(15)11(3,4)6-2/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyHATZKIOKIJXZDK-UHFFFAOYSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
CID 106277761
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
CID 76953566
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-ethylhexanamide
CID 76947816
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
CID 55208859
N-(1-amino-1-hydroxyiminopentan-3-yl)decanamide
CID 77069122
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057575
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
CID 76934679

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide (CID 76953621) is N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide is CCC(CC(N)=NO)NC(=O)C(C)(C)CC.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide?
The InChIKey is HATZKIOKIJXZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8(7-9(12)14-16)13-10(15)11(3,4)6-2/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide?
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 76953621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).