N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine

C10H15Cl2N — CID 123746419

IUPACN-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
SMILESCCC(C)=C(Cl)C=C(Cl)N=C(C)C
InChIInChI=1S/C10H15Cl2N/c1-5-8(4)9(11)6-10(12)13-7(2)3/h6H,5H2,1-4H3
InChIKeyWUUCGOHSZPSYSV-UHFFFAOYSA-N
MW220.14 g/mol
LogP4.47
Rot. Bonds3

About N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine

N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine (PubChem CID 123746419) has the molecular formula C10H15Cl2N and a molecular weight of 220.14 g/mol. Its IUPAC name is N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine.

Molecular Properties

Compound NameN-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
PubChem CID123746419
Molecular FormulaC10H15Cl2N
Molecular Weight220.14 g/mol
Exact Mass219.06
IUPAC NameN-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
SMILESCCC(C)=C(Cl)C=C(Cl)N=C(C)C
InChIInChI=1S/C10H15Cl2N/c1-5-8(4)9(11)6-10(12)13-7(2)3/h6H,5H2,1-4H3
InChIKeyWUUCGOHSZPSYSV-UHFFFAOYSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-methylhepta-2,4-diene
CID 123851314
(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene
CID 102247621
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
CID 142966320
(E)-3-amino-N-[(E)-1-aminobut-1-enyl]but-2-enimidoyl chloride
CID 161213899
(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
CID 142056728
2-[5-[(3E,5Z)-5-chloro-3,6-dimethylocta-1,3,5-trien-2-yl]-4-(methylideneamino)-1H-imidazol-2-yl]aniline
CID 171803484
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
CID 144768900
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
CID 144845951
2,3-dimethylpent-2-ene;propane
CID 162031516
azane;2,3-dimethylpent-2-ene
CID 87285665
3-methyl-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 138554186

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine?
The IUPAC name of N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine (CID 123746419) is N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine.
What is the SMILES notation for N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine?
The canonical SMILES for N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine is CCC(C)=C(Cl)C=C(Cl)N=C(C)C.
What is the InChIKey of N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine?
The InChIKey is WUUCGOHSZPSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N/c1-5-8(4)9(11)6-10(12)13-7(2)3/h6H,5H2,1-4H3.
What are the key properties of N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine?
N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine has a molecular weight of 220.14 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine is sourced from PubChem (CID 123746419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).