1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide

C8H16N2O2 — CID 64555298

IUPAC1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NO)C1
InChIInChI=1S/C8H16N2O2/c1-6-3-2-4-8(9,5-6)7(11)10-12/h6,12H,2-5,9H2,1H3,(H,10,11)
InChIKeyCOJMXVRJBKHVKO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.40
Rot. Bonds1

About 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide

1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide (PubChem CID 64555298) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
PubChem CID64555298
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NO)C1
InChIInChI=1S/C8H16N2O2/c1-6-3-2-4-8(9,5-6)7(11)10-12/h6,12H,2-5,9H2,1H3,(H,10,11)
InChIKeyCOJMXVRJBKHVKO-UHFFFAOYSA-N
XLogP0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64554668
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
1-amino-N-(2,3-dimethylcyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 64909548
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64552758

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide (CID 64555298) is 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NO)C1.
What is the InChIKey of 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is COJMXVRJBKHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-3-2-4-8(9,5-6)7(11)10-12/h6,12H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide?
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64555298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).