[(1S,2R)-2-hydroxycyclohexyl]-methylazanium

C7H16NO+ — CID 6995691

IUPAC[(1S,2R)-2-hydroxycyclohexyl]-methylazanium
SMILESC[NH2+][C@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/p+1/t6-,7+/m0/s1
InChIKeyHILGAVODIXBHHR-NKWVEPMBSA-O
MW130.21 g/mol
LogP-0.52
Rot. Bonds1

About [(1S,2R)-2-hydroxycyclohexyl]-methylazanium

[(1S,2R)-2-hydroxycyclohexyl]-methylazanium (PubChem CID 6995691) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is [(1S,2R)-2-hydroxycyclohexyl]-methylazanium.

Molecular Properties

Compound Name[(1S,2R)-2-hydroxycyclohexyl]-methylazanium
PubChem CID6995691
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name[(1S,2R)-2-hydroxycyclohexyl]-methylazanium
SMILESC[NH2+][C@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/p+1/t6-,7+/m0/s1
InChIKeyHILGAVODIXBHHR-NKWVEPMBSA-O
XLogP-0.52
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S,2R)-2-hydroxycyclohexyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
2-methylcyclododecan-1-ol
CID 13130078
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
cis-(1R,2R)-2-(2-aminopropan-2-yl)cyclohexan-1-ol
CID 14687469
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-hydroxycyclohexyl]-methylazanium?
The IUPAC name of [(1S,2R)-2-hydroxycyclohexyl]-methylazanium (CID 6995691) is [(1S,2R)-2-hydroxycyclohexyl]-methylazanium.
What is the SMILES notation for [(1S,2R)-2-hydroxycyclohexyl]-methylazanium?
The canonical SMILES for [(1S,2R)-2-hydroxycyclohexyl]-methylazanium is C[NH2+][C@H]1CCCC[C@H]1O.
What is the InChIKey of [(1S,2R)-2-hydroxycyclohexyl]-methylazanium?
The InChIKey is HILGAVODIXBHHR-NKWVEPMBSA-O. The full InChI is InChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/p+1/t6-,7+/m0/s1.
What are the key properties of [(1S,2R)-2-hydroxycyclohexyl]-methylazanium?
[(1S,2R)-2-hydroxycyclohexyl]-methylazanium has a molecular weight of 130.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-hydroxycyclohexyl]-methylazanium is sourced from PubChem (CID 6995691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).