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

C7H16ClNO — CID 134858014

IUPAC(1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
SMILESC[C@@H]1[C@@H](N)CCC[C@@H]1O.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-NLRFIBDTSA-N
MW165.66 g/mol
LogP0.92
Rot. Bonds

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

(1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride (PubChem CID 134858014) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
PubChem CID134858014
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride
SMILESC[C@@H]1[C@@H](N)CCC[C@@H]1O.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-NLRFIBDTSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
The IUPAC name of (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride (CID 134858014) is (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride is C[C@@H]1[C@@H](N)CCC[C@@H]1O.Cl.
What is the InChIKey of (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
The InChIKey is BXGXDXVPVPXOST-NLRFIBDTSA-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 (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride?
(1S,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 (1S,2R,3S)-3-amino-2-methylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 134858014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).