N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide

C14H27N3O2 — CID 77038709

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C(N)=NO)C1CC1)CC(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-9(8-14(2,3)4)7-11(18)16-12(10-5-6-10)13(15)17-19/h9-10,12,19H,5-8H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyPAEOFOYGXMLPIF-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.09
Rot. Bonds6

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide (PubChem CID 77038709) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
PubChem CID77038709
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C(N)=NO)C1CC1)CC(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-9(8-14(2,3)4)7-11(18)16-12(10-5-6-10)13(15)17-19/h9-10,12,19H,5-8H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyPAEOFOYGXMLPIF-UHFFFAOYSA-N
XLogP2.09
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.09
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)-3,5,5-trimethylhexanamide
CID 77038692
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
CID 77037057
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
3,5,5-trimethylhexanehydrazide
CID 142619235
(2R)-4-amino-4-oxo-2-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 114004733
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-(4-methylphenyl)propanamide
CID 77039299
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide
CID 77039374

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide (CID 77038709) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC(C(N)=NO)C1CC1)CC(C)(C)C.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide?
The InChIKey is PAEOFOYGXMLPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(8-14(2,3)4)7-11(18)16-12(10-5-6-10)13(15)17-19/h9-10,12,19H,5-8H2,1-4H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide has a molecular weight of 269.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 77038709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).