5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine

C13H19BrN2 — CID 145432346

IUPAC5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine
SMILESCCC/C=C(C)/N=c1\c(C)cc(Br)cn1C
InChIInChI=1S/C13H19BrN2/c1-5-6-7-11(3)15-13-10(2)8-12(14)9-16(13)4/h7-9H,5-6H2,1-4H3/b11-7+,15-13+
InChIKeyWONATQBEFNLNNG-IGTWKLTNSA-N
MW283.21 g/mol
LogP3.70
Rot. Bonds3

About 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine

5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine (PubChem CID 145432346) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine.

Molecular Properties

Compound Name5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine
PubChem CID145432346
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine
SMILESCCC/C=C(C)/N=c1\c(C)cc(Br)cn1C
InChIInChI=1S/C13H19BrN2/c1-5-6-7-11(3)15-13-10(2)8-12(14)9-16(13)4/h7-9H,5-6H2,1-4H3/b11-7+,15-13+
InChIKeyWONATQBEFNLNNG-IGTWKLTNSA-N
XLogP3.70
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine
CID 145432190
5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
CID 177041274
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
CID 134387420
3,6-bis[(1Z)-buta-1,3-dienyl]-N,1,4,5-tetrakis(ethenyl)pyridin-2-imine
CID 134420160
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145431783
5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
CID 145431994
ethane;1-ethenyl-N,3,5-trimethylpyridin-2-imine
CID 168895439
N-ethenyl-1,3-dimethyl-5-propan-2-ylpyridin-2-imine
CID 169844691
1-ethenyl-N,3-dimethyl-5,6-dimethylidenepyridin-2-imine
CID 170968256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine?
The IUPAC name of 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine (CID 145432346) is 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine.
What is the SMILES notation for 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine?
The canonical SMILES for 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine is CCC/C=C(C)/N=c1\c(C)cc(Br)cn1C.
What is the InChIKey of 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine?
The InChIKey is WONATQBEFNLNNG-IGTWKLTNSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-5-6-7-11(3)15-13-10(2)8-12(14)9-16(13)4/h7-9H,5-6H2,1-4H3/b11-7+,15-13+.
What are the key properties of 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine?
5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine has a molecular weight of 283.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine is sourced from PubChem (CID 145432346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).