5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine

C12H17BrN2 — CID 145432403

IUPAC5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
SMILESCCC/C=C/N=c1\ccc(Br)c(C)n1C
InChIInChI=1S/C12H17BrN2/c1-4-5-6-9-14-12-8-7-11(13)10(2)15(12)3/h6-9H,4-5H2,1-3H3/b9-6+,14-12+
InChIKeyYPJIAHTVSBBNCI-TZOAMJEDSA-N
MW269.19 g/mol
LogP3.31
Rot. Bonds3

About 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine

5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine (PubChem CID 145432403) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
PubChem CID145432403
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
SMILESCCC/C=C/N=c1\ccc(Br)c(C)n1C
InChIInChI=1S/C12H17BrN2/c1-4-5-6-9-14-12-8-7-11(13)10(2)15(12)3/h6-9H,4-5H2,1-3H3/b9-6+,14-12+
InChIKeyYPJIAHTVSBBNCI-TZOAMJEDSA-N
XLogP3.31
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
CID 177041274
N-ethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 90463805
1-(1-bromoethyl)-N-methylpyridin-2-imine
CID 130393158
3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
CID 141214894
2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141286821
3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141326782
N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 143409771
N-ethenyl-1,6-dimethylpyridin-2-imine
CID 143611247
N,1-diethyl-6-methylpyridin-2-imine;ethane
CID 143611261
N,1-diethyl-6-methylpyridin-2-imine
CID 143611262
ethane;1-ethenyl-N,6-dimethylpyridin-2-imine
CID 143611351
5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145432000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
The IUPAC name of 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine (CID 145432403) is 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine.
What is the SMILES notation for 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
The canonical SMILES for 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine is CCC/C=C/N=c1\ccc(Br)c(C)n1C.
What is the InChIKey of 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
The InChIKey is YPJIAHTVSBBNCI-TZOAMJEDSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-4-5-6-9-14-12-8-7-11(13)10(2)15(12)3/h6-9H,4-5H2,1-3H3/b9-6+,14-12+.
What are the key properties of 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine has a molecular weight of 269.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine is sourced from PubChem (CID 145432403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).