ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine

C13H26N2 — CID 177018798

IUPACethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine
SMILESC/C=N/C(C)=C(C(/C)=N/C)\C(C)C.CC
InChIInChI=1S/C11H20N2.C2H6/c1-7-13-10(5)11(8(2)3)9(4)12-6;1-2/h7-8H,1-6H3;1-2H3/b11-10+,12-9+,13-7+;
InChIKeyQQUXNCFASSWGGY-CLFRCIQFSA-N
MW210.36 g/mol
LogP4.12
Rot. Bonds3

About ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine

ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine (PubChem CID 177018798) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine.

Molecular Properties

Compound Nameethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine
PubChem CID177018798
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine
SMILESC/C=N/C(C)=C(C(/C)=N/C)\C(C)C.CC
InChIInChI=1S/C11H20N2.C2H6/c1-7-13-10(5)11(8(2)3)9(4)12-6;1-2/h7-8H,1-6H3;1-2H3/b11-10+,12-9+,13-7+;
InChIKeyQQUXNCFASSWGGY-CLFRCIQFSA-N
XLogP4.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
The IUPAC name of ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine (CID 177018798) is ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine.
What is the SMILES notation for ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
The canonical SMILES for ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine is C/C=N/C(C)=C(C(/C)=N/C)\C(C)C.CC.
What is the InChIKey of ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
The InChIKey is QQUXNCFASSWGGY-CLFRCIQFSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-7-13-10(5)11(8(2)3)9(4)12-6;1-2/h7-8H,1-6H3;1-2H3/b11-10+,12-9+,13-7+;.
What are the key properties of ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine has a molecular weight of 210.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine is sourced from PubChem (CID 177018798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).