N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

C14H27N3O2 — CID 107182742

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCC(C)(NC(=O)C1CCCCC1(C)C)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-5-14(4,12(15)17-19)16-11(18)10-8-6-7-9-13(10,2)3/h10,19H,5-9H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyQUIBGRPTGRHGMU-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.23
Rot. Bonds4

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

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107182742) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107182742
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCC(C)(NC(=O)C1CCCCC1(C)C)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-5-14(4,12(15)17-19)16-11(18)10-8-6-7-9-13(10,2)3/h10,19H,5-9H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyQUIBGRPTGRHGMU-UHFFFAOYSA-N
XLogP2.23
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.23
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-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107299242
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178540
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
CID 79762996
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920580
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180286
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 107175586

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107182742) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is CCC(C)(NC(=O)C1CCCCC1(C)C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is QUIBGRPTGRHGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-14(4,12(15)17-19)16-11(18)10-8-6-7-9-13(10,2)3/h10,19H,5-9H2,1-4H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 2.23, 4 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-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107182742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).