3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol

C10H19Cl2NO — CID 104628208

IUPAC3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(Cl)=CCl
InChIInChI=1S/C10H19Cl2NO/c1-10(2,3)9(4-5-14)13-7-8(12)6-11/h6,9,13-14H,4-5,7H2,1-3H3
InChIKeyFDDIFWVVDDOKJT-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.69
Rot. Bonds5

About 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol

3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104628208) has the molecular formula C10H19Cl2NO and a molecular weight of 240.17 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID104628208
Molecular FormulaC10H19Cl2NO
Molecular Weight240.17 g/mol
Exact Mass239.08
IUPAC Name3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(Cl)=CCl
InChIInChI=1S/C10H19Cl2NO/c1-10(2,3)9(4-5-14)13-7-8(12)6-11/h6,9,13-14H,4-5,7H2,1-3H3
InChIKeyFDDIFWVVDDOKJT-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-Dichloroprop-2-enylamino)-4-methylpentan-1-ol
CID 79168410
4,4-Dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823
3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628018
3-(2,3-Dichloroprop-2-enylamino)-2-methylbutan-1-ol
CID 104865646
3-(2,3-Dichloroprop-2-enylamino)pentan-1-ol
CID 104867204
3-(2,3-Dichloroprop-2-enylamino)-3-methylbutan-1-ol
CID 104873405
3-(2,3-Dichloroprop-2-enylamino)-4-methylpentan-1-ol
CID 104891914
3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol
CID 104891979
3-(2,3-Dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol
CID 104940456
5-(2,3-Dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 106147101
3-(2,3-Dichloroprop-2-enylamino)-3-methylpentan-1-ol
CID 106175281
2-[(2,3-Dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol
CID 106256045

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol (CID 104628208) is 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is FDDIFWVVDDOKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2NO/c1-10(2,3)9(4-5-14)13-7-8(12)6-11/h6,9,13-14H,4-5,7H2,1-3H3.
What are the key properties of 3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
3-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 240.17 g/mol, XLogP of 2.69, 5 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).