3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride

C11H24ClNO — CID 22723253

IUPAC3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNCCC1CCCCC1
InChIInChI=1S/C11H23NO.ClH/c13-10-4-8-12-9-7-11-5-2-1-3-6-11;/h11-13H,1-10H2;1H
InChIKeyOTJJHPFOFXBTMY-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.35
Rot. Bonds6

About 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride

3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride (PubChem CID 22723253) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride
PubChem CID22723253
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNCCC1CCCCC1
InChIInChI=1S/C11H23NO.ClH/c13-10-4-8-12-9-7-11-5-2-1-3-6-11;/h11-13H,1-10H2;1H
InChIKeyOTJJHPFOFXBTMY-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexylhydroxypropylamine
CID 60683005
3-[(3-Fluorocyclohexyl)methylamino]propane-1,1-diol
CID 89791979
2-((3-Cyclohexylpropyl)amino)ethanol
CID 541763
3-(2-Cyclohexylethylamino)-2,2-difluoropropan-1-ol
CID 103529198
3-[[4-(Trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
CID 104421750
3-[[3-(Trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
CID 104421803
3-[(4,4-Difluorocyclohexyl)methylamino]propan-1-ol
CID 104421818
3-[[2-(Trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
CID 104622120
2,2-Difluoro-3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 104857379
3-(Cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
3-(1-Cyclohexylethylamino)-2,2-difluoropropan-1-ol
CID 104860608
3-Cyclohexyl-3-[(propan-2-yl)amino]propan-1-ol
CID 54593688

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride?
The IUPAC name of 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride (CID 22723253) is 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride is Cl.OCCCNCCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride?
The InChIKey is OTJJHPFOFXBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.ClH/c13-10-4-8-12-9-7-11-5-2-1-3-6-11;/h11-13H,1-10H2;1H.
What are the key properties of 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride?
3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride has a molecular weight of 221.77 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 22723253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).