2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol

C10H20ClNO — CID 76932283

IUPAC2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CC=CCl)CCO
InChIInChI=1S/C10H20ClNO/c1-3-10(4-2)12(8-9-13)7-5-6-11/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyANKHGFSZIUKHNG-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.22
Rot. Bonds7

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

2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol (PubChem CID 76932283) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol
PubChem CID76932283
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CC=CCl)CCO
InChIInChI=1S/C10H20ClNO/c1-3-10(4-2)12(8-9-13)7-5-6-11/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyANKHGFSZIUKHNG-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.22
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(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol (CID 76932283) is 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol is CCC(CC)N(CC=CCl)CCO.
What is the InChIKey of 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol?
The InChIKey is ANKHGFSZIUKHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-10(4-2)12(8-9-13)7-5-6-11/h5-6,10,13H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol?
2-[3-chloroprop-2-enyl(pentan-3-yl)amino]ethanol has a molecular weight of 205.73 g/mol, XLogP of 2.22, 7 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(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 76932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).