cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride

C7H16ClNO — CID 68814208

IUPACcis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO.ClH/c8-5-6-3-1-2-4-7(6)9;/h6-7,9H,1-5,8H2;1H/t6-,7+;/m0./s1
InChIKeyUVYXWKUCIQHOCP-UOERWJHTSA-N
MW165.66 g/mol
LogP0.92
Rot. Bonds1

About cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride

cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 68814208) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride
PubChem CID68814208
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Namecis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO.ClH/c8-5-6-3-1-2-4-7(6)9;/h6-7,9H,1-5,8H2;1H/t6-,7+;/m0./s1
InChIKeyUVYXWKUCIQHOCP-UOERWJHTSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride 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

CID 11990554
CID 11990554
CID 49861475
CID 49861475
CID 533885
CID 533885
CID 17773621
CID 17773621
CID 23008729
CID 23008729
CID 14178860
CID 14178860
CID 51652315
CID 51652315
CID 541636
CID 541636
CID 2724652
CID 2724652
CID 2724654
CID 2724654
CID 12483366
CID 12483366
CID 22010081
CID 22010081

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride (CID 68814208) is cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride is Cl.NC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is UVYXWKUCIQHOCP-UOERWJHTSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c8-5-6-3-1-2-4-7(6)9;/h6-7,9H,1-5,8H2;1H/t6-,7+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride?
cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(aminomethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 68814208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).