5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol

C10H20ClNO — CID 106147181

IUPAC5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=C(Cl)CNCC(C)(C)CCCO
InChIInChI=1S/C10H20ClNO/c1-9(11)7-12-8-10(2,3)5-4-6-13/h12-13H,1,4-8H2,2-3H3
InChIKeyAIONVYBWOFDJMI-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.13
Rot. Bonds7

About 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol

5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147181) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147181
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=C(Cl)CNCC(C)(C)CCCO
InChIInChI=1S/C10H20ClNO/c1-9(11)7-12-8-10(2,3)5-4-6-13/h12-13H,1,4-8H2,2-3H3
InChIKeyAIONVYBWOFDJMI-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol (CID 106147181) is 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol is C=C(Cl)CNCC(C)(C)CCCO.
What is the InChIKey of 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is AIONVYBWOFDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-9(11)7-12-8-10(2,3)5-4-6-13/h12-13H,1,4-8H2,2-3H3.
What are the key properties of 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 205.73 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).