2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol

C11H20ClNO — CID 76932275

IUPAC2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol
SMILESOCCN(CC=CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h4,7,11,14H,1-3,5-6,8-10H2
InChIKeyRYVUTFBOQCGCNB-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol

2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol (PubChem CID 76932275) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol
PubChem CID76932275
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol
SMILESOCCN(CC=CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h4,7,11,14H,1-3,5-6,8-10H2
InChIKeyRYVUTFBOQCGCNB-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-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
The IUPAC name of 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol (CID 76932275) is 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
The canonical SMILES for 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol is OCCN(CC=CCl)C1CCCCC1.
What is the InChIKey of 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
The InChIKey is RYVUTFBOQCGCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h4,7,11,14H,1-3,5-6,8-10H2.
What are the key properties of 2-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol?
2-[3-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-[3-chloroprop-2-enyl(cyclohexyl)amino]ethanol is sourced from PubChem (CID 76932275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).