N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

C12H23N3O2 — CID 107182713

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCCC1(C)C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-8(10(13)15-17)14-11(16)9-6-4-5-7-12(9,2)3/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyYEDJNKYFLYQXEJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.45
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107182713) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107182713
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCCC1(C)C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-8(10(13)15-17)14-11(16)9-6-4-5-7-12(9,2)3/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyYEDJNKYFLYQXEJ-UHFFFAOYSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107182713) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is CC(NC(=O)C1CCCCC1(C)C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is YEDJNKYFLYQXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(10(13)15-17)14-11(16)9-6-4-5-7-12(9,2)3/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107182713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).