2-amino-3-cyclohexylpropan-1-ol;hydrochloride

C9H20ClNO — CID 18529173

IUPAC2-amino-3-cyclohexylpropan-1-ol;hydrochloride
SMILESCl.NC(CO)CC1CCCCC1
InChIInChI=1S/C9H19NO.ClH/c10-9(7-11)6-8-4-2-1-3-5-8;/h8-9,11H,1-7,10H2;1H
InChIKeyBMHYDTXNZNVADC-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.70
Rot. Bonds3

About 2-amino-3-cyclohexylpropan-1-ol;hydrochloride

2-amino-3-cyclohexylpropan-1-ol;hydrochloride (PubChem CID 18529173) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 2-amino-3-cyclohexylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-cyclohexylpropan-1-ol;hydrochloride
PubChem CID18529173
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name2-amino-3-cyclohexylpropan-1-ol;hydrochloride
SMILESCl.NC(CO)CC1CCCCC1
InChIInChI=1S/C9H19NO.ClH/c10-9(7-11)6-8-4-2-1-3-5-8;/h8-9,11H,1-7,10H2;1H
InChIKeyBMHYDTXNZNVADC-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-cyclohexylpropan-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

(2S)-2-amino-3-cyclohexylpropan-1-ol
CID 444569
2-Amino-1-cyclohexylethan-1-ol
CID 11990554
rac-((1R,2S)-2-aminocyclohexyl)methanol
CID 2724653
2-Amino-3-cyclohexylpropan-1-ol
CID 4068950
2-Amino-1-cyclohexyl-ethanol hydrochloride
CID 49861475
Cyclohexanemethanol, 4-(aminomethyl)-
CID 70631
(2-Aminocyclohexyl)methanol
CID 544863
3-Amino-3-cyclohexylpropan-1-ol
CID 17039367
(2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride
CID 16212813
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
CID 118735810
3-Amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 4337613
(1R)-2-amino-1-cyclohexylethan-1-ol
CID 14178860

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexylpropan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-cyclohexylpropan-1-ol;hydrochloride (CID 18529173) is 2-amino-3-cyclohexylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-cyclohexylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-cyclohexylpropan-1-ol;hydrochloride is Cl.NC(CO)CC1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexylpropan-1-ol;hydrochloride?
The InChIKey is BMHYDTXNZNVADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c10-9(7-11)6-8-4-2-1-3-5-8;/h8-9,11H,1-7,10H2;1H.
What are the key properties of 2-amino-3-cyclohexylpropan-1-ol;hydrochloride?
2-amino-3-cyclohexylpropan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexylpropan-1-ol;hydrochloride is sourced from PubChem (CID 18529173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).