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

C8H14ClN — CID 144824538

IUPACN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane
SMILESC=C/C(Cl)=C(/C)N=C.CC
InChIInChI=1S/C6H8ClN.C2H6/c1-4-6(7)5(2)8-3;1-2/h4H,1,3H2,2H3;1-2H3/b6-5+;
InChIKeyGXTHAJJUJGHNND-IPZCTEOASA-N
MW159.66 g/mol
LogP3.37
Rot. Bonds2

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

N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane (PubChem CID 144824538) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane
PubChem CID144824538
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC NameN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane
SMILESC=C/C(Cl)=C(/C)N=C.CC
InChIInChI=1S/C6H8ClN.C2H6/c1-4-6(7)5(2)8-3;1-2/h4H,1,3H2,2H3;1-2H3/b6-5+;
InChIKeyGXTHAJJUJGHNND-IPZCTEOASA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane?
The IUPAC name of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane (CID 144824538) is N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane.
What is the SMILES notation for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane?
The canonical SMILES for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane is C=C/C(Cl)=C(/C)N=C.CC.
What is the InChIKey of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane?
The InChIKey is GXTHAJJUJGHNND-IPZCTEOASA-N. The full InChI is InChI=1S/C6H8ClN.C2H6/c1-4-6(7)5(2)8-3;1-2/h4H,1,3H2,2H3;1-2H3/b6-5+;.
What are the key properties of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane?
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane has a molecular weight of 159.66 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane is sourced from PubChem (CID 144824538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).