2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol

C11H20ClNO — CID 60694686

IUPAC2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol
SMILESC=C(Cl)CN(CCO)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-10(12)9-13(7-8-14)11-5-3-2-4-6-11/h11,14H,1-9H2
InChIKeyNSGXXQPPLBZVKG-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol

2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol (PubChem CID 60694686) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol
PubChem CID60694686
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol
SMILESC=C(Cl)CN(CCO)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-10(12)9-13(7-8-14)11-5-3-2-4-6-11/h11,14H,1-9H2
InChIKeyNSGXXQPPLBZVKG-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
The IUPAC name of 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol (CID 60694686) is 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
The canonical SMILES for 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol is C=C(Cl)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
The InChIKey is NSGXXQPPLBZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(12)9-13(7-8-14)11-5-3-2-4-6-11/h11,14H,1-9H2.
What are the key properties of 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol has a molecular weight of 217.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroprop-2-enyl(cyclohexyl)amino]ethanol is sourced from PubChem (CID 60694686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).