2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol

C11H20ClNO — CID 62015822

IUPAC2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol
SMILESOCCN(C/C=C/Cl)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/b7-4+
InChIKeyRYVUTFBOQCGCNB-QPJJXVBHSA-N
MW217.74 g/mol
LogP2.37
Rot. Bonds5

About 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol

2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol (PubChem CID 62015822) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol
PubChem CID62015822
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol
SMILESOCCN(C/C=C/Cl)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/b7-4+
InChIKeyRYVUTFBOQCGCNB-QPJJXVBHSA-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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Related Compounds

2-[Cyclohexyl(prop-2-enyl)amino]ethanol
CID 60695023
(3-Chloro-2-hydroxypropyl)-cyclohexyl-bis(prop-2-enyl)azanium chloride
CID 139996766
1-[2-Chloroprop-2-enyl(cyclohexyl)amino]propan-2-ol
CID 60263549
2-[2-Chloroprop-2-enyl(cyclohexyl)amino]ethanol
CID 60694686
[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
CID 61355740
[1-(3-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 76898311
2-[3-Chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 76932257
2-[3-Chloroprop-2-enyl(cyclohexyl)amino]ethanol
CID 76932275
2-[But-2-enyl(cyclohexyl)amino]ethanol
CID 76932277
2-[3-Chloroprop-2-enyl(pentan-3-yl)amino]ethanol
CID 76932283
[1-(4-Chlorobut-2-enyl)piperidin-2-yl]methanol
CID 77051403
2-[4-Chlorobut-2-enyl(pentan-3-yl)amino]ethanol
CID 77051466

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol (CID 62015822) is 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol is OCCN(C/C=C/Cl)C1CCCCC1.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol?
The InChIKey is RYVUTFBOQCGCNB-QPJJXVBHSA-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/b7-4+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol?
2-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]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-[[(E)-3-chloroprop-2-enyl]-cyclohexylamino]ethanol is sourced from PubChem (CID 62015822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).