N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide

C12H23N3O2 — CID 104873764

IUPACN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C)CCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-11(2,9(13)15-17)8-14-10(16)12(3)6-4-5-7-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyCCTOERWZLUILMA-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.46
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 104873764) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
PubChem CID104873764
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C)CCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-11(2,9(13)15-17)8-14-10(16)12(3)6-4-5-7-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyCCTOERWZLUILMA-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.46
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-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828674
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 114167667
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
CID 104873798
N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide
CID 106145334
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
CID 104873806
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 115365476
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide (CID 104873764) is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide is CC(C)(CNC(=O)C1(C)CCCC1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is CCTOERWZLUILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,9(13)15-17)8-14-10(16)12(3)6-4-5-7-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide?
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 104873764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).