3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine

C6H10Cl3N — CID 91207779

IUPAC3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine
SMILESCN(C)CCC(Cl)=C(Cl)Cl
InChIInChI=1S/C6H10Cl3N/c1-10(2)4-3-5(7)6(8)9/h3-4H2,1-2H3
InChIKeyIEVZYYXDALZCLS-UHFFFAOYSA-N
MW202.51 g/mol
LogP2.82
Rot. Bonds3

About 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine

3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine (PubChem CID 91207779) has the molecular formula C6H10Cl3N and a molecular weight of 202.51 g/mol. Its IUPAC name is 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine
PubChem CID91207779
Molecular FormulaC6H10Cl3N
Molecular Weight202.51 g/mol
Exact Mass200.99
IUPAC Name3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine
SMILESCN(C)CCC(Cl)=C(Cl)Cl
InChIInChI=1S/C6H10Cl3N/c1-10(2)4-3-5(7)6(8)9/h3-4H2,1-2H3
InChIKeyIEVZYYXDALZCLS-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
CID 88826921
CID 88826921
CID 173338058
CID 173338058
CID 175787026
CID 175787026
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
(Z)-4-(dimethylamino)-1-(methylamino)but-1-en-2-ol
CID 143732022
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
CID 161066727
CID 161066727

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine (CID 91207779) is 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine is CN(C)CCC(Cl)=C(Cl)Cl.
What is the InChIKey of 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine?
The InChIKey is IEVZYYXDALZCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl3N/c1-10(2)4-3-5(7)6(8)9/h3-4H2,1-2H3.
What are the key properties of 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine?
3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine has a molecular weight of 202.51 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 91207779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).