N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane

C8H13Br2N — CID 163370351

IUPACN-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane
SMILESC=C/C(Br)=C(/CBr)N=C.CC
InChIInChI=1S/C6H7Br2N.C2H6/c1-3-5(8)6(4-7)9-2;1-2/h3H,1-2,4H2;1-2H3/b6-5+;
InChIKeyRUCJBFSJTJVQHL-IPZCTEOASA-N
MW283.01 g/mol
LogP3.90
Rot. Bonds3

About N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane

N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane (PubChem CID 163370351) has the molecular formula C8H13Br2N and a molecular weight of 283.01 g/mol. Its IUPAC name is N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane
PubChem CID163370351
Molecular FormulaC8H13Br2N
Molecular Weight283.01 g/mol
Exact Mass280.94
IUPAC NameN-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane
SMILESC=C/C(Br)=C(/CBr)N=C.CC
InChIInChI=1S/C6H7Br2N.C2H6/c1-3-5(8)6(4-7)9-2;1-2/h3H,1-2,4H2;1-2H3/b6-5+;
InChIKeyRUCJBFSJTJVQHL-IPZCTEOASA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.01
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
CID 143722331
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518
(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142099703
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine
CID 143106690
(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
CID 142879413
(3Z)-4-bromo-3-methoxyhexa-1,3,5-trien-2-amine
CID 166130604
3-bromoprop-1-en-2-ol
CID 12610769
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
3-bromoprop-1-ene;iodomethane
CID 174834999

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane?
The IUPAC name of N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane (CID 163370351) is N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane.
What is the SMILES notation for N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane?
The canonical SMILES for N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane is C=C/C(Br)=C(/CBr)N=C.CC.
What is the InChIKey of N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane?
The InChIKey is RUCJBFSJTJVQHL-IPZCTEOASA-N. The full InChI is InChI=1S/C6H7Br2N.C2H6/c1-3-5(8)6(4-7)9-2;1-2/h3H,1-2,4H2;1-2H3/b6-5+;.
What are the key properties of N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane?
N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane has a molecular weight of 283.01 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane is sourced from PubChem (CID 163370351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).