3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol

C9H18ClNO — CID 106175439

IUPAC3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol
SMILESC=C(Cl)CNC(C)(CC)CCO
InChIInChI=1S/C9H18ClNO/c1-4-9(3,5-6-12)11-7-8(2)10/h11-12H,2,4-7H2,1,3H3
InChIKeyDAQFJAFKQSZNIJ-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.88
Rot. Bonds6

About 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol

3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol (PubChem CID 106175439) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol
PubChem CID106175439
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol
SMILESC=C(Cl)CNC(C)(CC)CCO
InChIInChI=1S/C9H18ClNO/c1-4-9(3,5-6-12)11-7-8(2)10/h11-12H,2,4-7H2,1,3H3
InChIKeyDAQFJAFKQSZNIJ-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol (CID 106175439) is 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol is C=C(Cl)CNC(C)(CC)CCO.
What is the InChIKey of 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol?
The InChIKey is DAQFJAFKQSZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-4-9(3,5-6-12)11-7-8(2)10/h11-12H,2,4-7H2,1,3H3.
What are the key properties of 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol?
3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol has a molecular weight of 191.70 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106175439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).