(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine

C14H22N2 — CID 139420260

IUPAC(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine
SMILESC=C(C)/N=C/C(=C\C)/C(C)=N\C(=C/C)CC
InChIInChI=1S/C14H22N2/c1-7-13(10-15-11(4)5)12(6)16-14(8-2)9-3/h7-8,10H,4,9H2,1-3,5-6H3/b13-7+,14-8-,15-10+,16-12+
InChIKeyGZWIPTXKFOHQIU-IUBXLVMKSA-N
MW218.34 g/mol
LogP4.31
Rot. Bonds5

About (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine

(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine (PubChem CID 139420260) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine
PubChem CID139420260
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine
SMILESC=C(C)/N=C/C(=C\C)/C(C)=N\C(=C/C)CC
InChIInChI=1S/C14H22N2/c1-7-13(10-15-11(4)5)12(6)16-14(8-2)9-3/h7-8,10H,4,9H2,1-3,5-6H3/b13-7+,14-8-,15-10+,16-12+
InChIKeyGZWIPTXKFOHQIU-IUBXLVMKSA-N
XLogP4.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.31
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 (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine?
The IUPAC name of (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine (CID 139420260) is (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine.
What is the SMILES notation for (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine?
The canonical SMILES for (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine is C=C(C)/N=C/C(=C\C)/C(C)=N\C(=C/C)CC.
What is the InChIKey of (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine?
The InChIKey is GZWIPTXKFOHQIU-IUBXLVMKSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-13(10-15-11(4)5)12(6)16-14(8-2)9-3/h7-8,10H,4,9H2,1-3,5-6H3/b13-7+,14-8-,15-10+,16-12+.
What are the key properties of (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine?
(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine has a molecular weight of 218.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine is sourced from PubChem (CID 139420260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).