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

C9H17Cl2NO — CID 104891914

IUPAC3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2NO/c1-7(2)9(3-4-13)12-6-8(11)5-10/h5,7,9,12-13H,3-4,6H2,1-2H3
InChIKeyFXKSICMUXPSCHP-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.30
Rot. Bonds6

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

3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol (PubChem CID 104891914) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol
PubChem CID104891914
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC Name3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCC(Cl)=CCl
InChIInChI=1S/C9H17Cl2NO/c1-7(2)9(3-4-13)12-6-8(11)5-10/h5,7,9,12-13H,3-4,6H2,1-2H3
InChIKeyFXKSICMUXPSCHP-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Chloroprop-2-enylamino)-4-methylpentan-1-ol
CID 61245404
2-(2,3-Dichloroprop-2-enylamino)-2-ethylbutan-1-ol
CID 79167932
2-(2,3-Dichloroprop-2-enylamino)-4-methylpentan-1-ol
CID 79168410
(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol
CID 79249808
2-(2,3-Dichloroprop-2-enylamino)-3-methylbutan-1-ol
CID 79250465
3-[(2,3-Dichloroprop-2-enylamino)methyl]pentan-1-ol
CID 80289684
4-(2,3-Dichloroprop-2-enylamino)pentan-1-ol
CID 80295100
2-[[(E)-4-chlorobut-2-enyl]amino]-4-methylpentan-1-ol
CID 81431150
3-(2,3-Dichloroprop-2-enylamino)butan-1-ol
CID 83176707
3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628018
3-(2,3-Dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 104628208
4-Methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 104696137

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol (CID 104891914) is 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NCC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol?
The InChIKey is FXKSICMUXPSCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-7(2)9(3-4-13)12-6-8(11)5-10/h5,7,9,12-13H,3-4,6H2,1-2H3.
What are the key properties of 3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol?
3-(2,3-dichloroprop-2-enylamino)-4-methylpentan-1-ol has a molecular weight of 226.15 g/mol, XLogP of 2.30, 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)-4-methylpentan-1-ol is sourced from PubChem (CID 104891914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).