trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol

C8H17NO2 — CID 11819318

IUPACtrans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol
SMILESCON[C@H]1CCCC[C@@]1(C)O
InChIInChI=1S/C8H17NO2/c1-8(10)6-4-3-5-7(8)9-11-2/h7,9-10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKYJPLPJXEBRBGQ-JGVFFNPUSA-N
MW159.23 g/mol
LogP0.83
Rot. Bonds2

About trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol

trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol (PubChem CID 11819318) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol
PubChem CID11819318
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametrans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol
SMILESCON[C@H]1CCCC[C@@]1(C)O
InChIInChI=1S/C8H17NO2/c1-8(10)6-4-3-5-7(8)9-11-2/h7,9-10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKYJPLPJXEBRBGQ-JGVFFNPUSA-N
XLogP0.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251
1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
CID 69200571
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
cis-(1R,2R)-2-(ethylamino)-1-methylcyclopentan-1-ol
CID 166556336
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
2-[(2,2-dimethylcyclobutyl)amino]-1-methylcyclopentan-1-ol
CID 130555925
N-methoxyspiro[4.5]decan-8-amine
CID 114817828
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
2-(2-aminoethylamino)-1-methylcyclopentan-1-ol
CID 130532234

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol (CID 11819318) is trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol is CON[C@H]1CCCC[C@@]1(C)O.
What is the InChIKey of trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol?
The InChIKey is KYJPLPJXEBRBGQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10)6-4-3-5-7(8)9-11-2/h7,9-10H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol?
trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 11819318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).