(1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride

C7H16ClNO — CID 134835466

IUPAC(1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
SMILESC[C@H]1[C@H](O)CCC[C@@H]1N.Cl
InChIInChI=1S/C7H15NO.ClH/c1-5-6(8)3-2-4-7(5)9;/h5-7,9H,2-4,8H2,1H3;1H/t5-,6+,7-;/m1./s1
InChIKeyBXGXDXVPVPXOST-FNCXLRSCSA-N
MW165.66 g/mol
LogP0.92
Rot. Bonds

About (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride

(1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride (PubChem CID 134835466) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
PubChem CID134835466
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
SMILESC[C@H]1[C@H](O)CCC[C@@H]1N.Cl
InChIInChI=1S/C7H15NO.ClH/c1-5-6(8)3-2-4-7(5)9;/h5-7,9H,2-4,8H2,1H3;1H/t5-,6+,7-;/m1./s1
InChIKeyBXGXDXVPVPXOST-FNCXLRSCSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-aminocyclohexyl]methanol hydrochloride
CID 2724652
rac-((1R,2R)-2-aminocyclohexyl)methanol hydrochloride
CID 2724654
((1S,2R)-2-aminocyclohexyl)methanol hydrochloride
CID 23545866
[(1s,4s)-4-Aminocyclohexyl]methanol hydrochloride
CID 24194144
(1R,2S)-2-(aminomethyl)cyclohexan-1-ol hydrochloride
CID 68814208
1-(4-Aminocyclohexyl)ethan-1-ol hydrochloride
CID 69246718
1-(4-Aminocyclohexyl)ethanol
CID 55290474
1-(Anti-2-aminocyclohexyl)ethanol
CID 12213503
(1R,2S,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
CID 134858012
(1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
CID 134858014
5-Amino-2-(trifluoromethyl)cyclohexan-1-ol
CID 67556838
(1S,2S,3R,5S,6R)-3,5-diamino-2-fluoro-6-methylcyclohexan-1-ol
CID 137530968

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
The IUPAC name of (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride (CID 134835466) is (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride is C[C@H]1[C@H](O)CCC[C@@H]1N.Cl.
What is the InChIKey of (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
The InChIKey is BXGXDXVPVPXOST-FNCXLRSCSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-5-6(8)3-2-4-7(5)9;/h5-7,9H,2-4,8H2,1H3;1H/t5-,6+,7-;/m1./s1.
What are the key properties of (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
(1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 134835466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).