N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide

C14H29N3O2 — CID 77038692

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C(N)=NO)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)12(13(15)17-19)16-11(18)7-10(3)8-14(4,5)6/h9-10,12,19H,7-8H2,1-6H3,(H2,15,17)(H,16,18)
InChIKeyUBLAQBWNMMXTJS-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.34
Rot. Bonds6

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide (PubChem CID 77038692) has the molecular formula C14H29N3O2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
PubChem CID77038692
Molecular FormulaC14H29N3O2
Molecular Weight271.41 g/mol
Exact Mass271.23
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C(N)=NO)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)12(13(15)17-19)16-11(18)7-10(3)8-14(4,5)6/h9-10,12,19H,7-8H2,1-6H3,(H2,15,17)(H,16,18)
InChIKeyUBLAQBWNMMXTJS-UHFFFAOYSA-N
XLogP2.34
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.34
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

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 114212897
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
CID 77038709
N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 65190783
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
3,5,5-trimethylhexanehydrazide
CID 142619235
(2R)-4-amino-4-oxo-2-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 114004733
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]hexanamide
CID 42703747
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022130
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
CID 107940590

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide (CID 77038692) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC(C(N)=NO)C(C)C)CC(C)(C)C.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The InChIKey is UBLAQBWNMMXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-9(2)12(13(15)17-19)16-11(18)7-10(3)8-14(4,5)6/h9-10,12,19H,7-8H2,1-6H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide has a molecular weight of 271.41 g/mol, XLogP of 2.34, 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-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 77038692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).