1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone

C10H20N2O — CID 118392167

IUPAC1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone
SMILESCC(=O)[C@H]1CC[C@H](NN)CC1(C)C
InChIInChI=1S/C10H20N2O/c1-7(13)9-5-4-8(12-11)6-10(9,2)3/h8-9,12H,4-6,11H2,1-3H3/t8-,9+/m0/s1
InChIKeyIUYSVOPVOWCGJE-DTWKUNHWSA-N
MW184.28 g/mol
LogP1.23
Rot. Bonds2

About 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone

1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone (PubChem CID 118392167) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone
PubChem CID118392167
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone
SMILESCC(=O)[C@H]1CC[C@H](NN)CC1(C)C
InChIInChI=1S/C10H20N2O/c1-7(13)9-5-4-8(12-11)6-10(9,2)3/h8-9,12H,4-6,11H2,1-3H3/t8-,9+/m0/s1
InChIKeyIUYSVOPVOWCGJE-DTWKUNHWSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
CID 118383562
cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
CID 118383556
1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone
CID 130949680
N-cyclopropyl-2,2-dimethylcyclopropane-1-carboxamide
CID 103837193
(3,3-dimethylcyclobutyl)hydrazine
CID 127007229
2,2-dimethyl-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 107000570
N-cyclopentyl-2,2-dimethylcyclopropane-1-carboxamide
CID 103837196
cis-dimethyl (3R,4S)-3-acetyl-4-hydroxy-4-methylcyclohexane-1,1-dicarboxylate
CID 11119208
(2S)-5-amino-6-[[(1S,4S)-4-methoxycarbonyl-3,3-dimethylcyclohexyl]amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 138472538
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
cis-(1S,4S)-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 118343603
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
CID 70191080

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone?
The IUPAC name of 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone (CID 118392167) is 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone.
What is the SMILES notation for 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone?
The canonical SMILES for 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone is CC(=O)[C@H]1CC[C@H](NN)CC1(C)C.
What is the InChIKey of 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone?
The InChIKey is IUYSVOPVOWCGJE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(13)9-5-4-8(12-11)6-10(9,2)3/h8-9,12H,4-6,11H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone?
1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone is sourced from PubChem (CID 118392167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).