3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol

C9H17Cl2NO — CID 106175281

IUPAC3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2NO/c1-3-9(2,4-5-13)12-7-8(11)6-10/h6,12-13H,3-5,7H2,1-2H3
InChIKeyWEWUXXMBEMXPIV-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.45
Rot. Bonds6

About 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol

3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol (PubChem CID 106175281) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol
PubChem CID106175281
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC Name3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2NO/c1-3-9(2,4-5-13)12-7-8(11)6-10/h6,12-13H,3-5,7H2,1-2H3
InChIKeyWEWUXXMBEMXPIV-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol (CID 106175281) is 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NCC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol?
The InChIKey is WEWUXXMBEMXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-3-9(2,4-5-13)12-7-8(11)6-10/h6,12-13H,3-5,7H2,1-2H3.
What are the key properties of 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol?
3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol has a molecular weight of 226.15 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroprop-2-enylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106175281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).