2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol

C11H21NO2 — CID 115773200

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol
SMILESC=CCN(CCO)C1CCCCC1O
InChIInChI=1S/C11H21NO2/c1-2-7-12(8-9-13)10-5-3-4-6-11(10)14/h2,10-11,13-14H,1,3-9H2
InChIKeyCHHVCQYYPRRJOT-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.77
Rot. Bonds5

About 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol

2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol (PubChem CID 115773200) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol
PubChem CID115773200
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol
SMILESC=CCN(CCO)C1CCCCC1O
InChIInChI=1S/C11H21NO2/c1-2-7-12(8-9-13)10-5-3-4-6-11(10)14/h2,10-11,13-14H,1,3-9H2
InChIKeyCHHVCQYYPRRJOT-UHFFFAOYSA-N
XLogP0.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Allylamino)cyclohexanol
CID 12642244
2-(2,5-Dihydropyrrol-1-yl)cyclohexan-1-ol
CID 13655450
4-[Bis(prop-2-enyl)amino]cyclohexan-1-ol
CID 13670662
(1R,2R)-2-(Allylamino)cyclohexanol
CID 28307729
(1S,2S)-2-[(prop-2-en-1-yl)amino]cyclohexan-1-ol
CID 28660506
trans-(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexan-1-ol
CID 54494610
(1-Prop-2-enylpiperidin-2-yl)methanol
CID 58550098
2,2'-((2-Hydroxycyclohexyl)azanediyl)diethanol
CID 60714576
2-[(2-Hydroxyethyl)(methyl)amino]cyclohexan-1-ol
CID 60714720
4-[Ethyl(prop-2-enyl)amino]cyclohexan-1-ol
CID 68280401
4-[Methyl(prop-2-enyl)amino]cyclohexan-1-ol
CID 85777975
cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol
CID 28660510

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol (CID 115773200) is 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol is C=CCN(CCO)C1CCCCC1O.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol?
The InChIKey is CHHVCQYYPRRJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-12(8-9-13)10-5-3-4-6-11(10)14/h2,10-11,13-14H,1,3-9H2.
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol?
2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 115773200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).