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

C11H20N2 — CID 177018799

IUPAC(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
InChIInChI=1S/C11H20N2/c1-7-13-10(5)11(8(2)3)9(4)12-6/h7-8H,1-6H3/b11-10+,12-9+,13-7+
InChIKeyHQRGPNFCYBRWIP-DILMKIQUSA-N
MW180.29 g/mol
LogP3.10
Rot. Bonds3

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

(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine (PubChem CID 177018799) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine
PubChem CID177018799
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(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
InChIInChI=1S/C11H20N2/c1-7-13-10(5)11(8(2)3)9(4)12-6/h7-8H,1-6H3/b11-10+,12-9+,13-7+
InChIKeyHQRGPNFCYBRWIP-DILMKIQUSA-N
XLogP3.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.10
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 (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
The IUPAC name of (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine (CID 177018799) is (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine.
What is the SMILES notation for (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
The canonical SMILES for (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.
What is the InChIKey of (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
The InChIKey is HQRGPNFCYBRWIP-DILMKIQUSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-13-10(5)11(8(2)3)9(4)12-6/h7-8H,1-6H3/b11-10+,12-9+,13-7+.
What are the key properties of (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine?
(E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-N-ethylidene-2-N-methyl-3-propan-2-ylpent-3-ene-2,4-diimine is sourced from PubChem (CID 177018799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).