1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride

C8H18ClNO — CID 67744722

IUPAC1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NCCC1(O)CCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-7-6-8(10)4-2-1-3-5-8;/h10H,1-7,9H2;1H
InChIKeyZEKCQOILYCSQTB-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride

1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 67744722) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride
PubChem CID67744722
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NCCC1(O)CCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-7-6-8(10)4-2-1-3-5-8;/h10H,1-7,9H2;1H
InChIKeyZEKCQOILYCSQTB-UHFFFAOYSA-N
XLogP1.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminoethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride (CID 67744722) is 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride is Cl.NCCC1(O)CCCCC1.
What is the InChIKey of 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is ZEKCQOILYCSQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-7-6-8(10)4-2-1-3-5-8;/h10H,1-7,9H2;1H.
What are the key properties of 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride?
1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 67744722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).