(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine

C13H20N2 — CID 146321691

IUPAC(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine
SMILES[H]/N=C/C(CCC/C=C\N=C)=C(C)\C=C/C
InChIInChI=1S/C13H20N2/c1-4-8-12(2)13(11-14)9-6-5-7-10-15-3/h4,7-8,10-11,14H,3,5-6,9H2,1-2H3/b8-4-,10-7-,13-12-,14-11+
InChIKeyAEPMMFUKCWUTBI-SZDCYGOPSA-N
MW204.32 g/mol
LogP3.91
Rot. Bonds7

About (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine

(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine (PubChem CID 146321691) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine.

Molecular Properties

Compound Name(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine
PubChem CID146321691
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine
SMILES[H]/N=C/C(CCC/C=C\N=C)=C(C)\C=C/C
InChIInChI=1S/C13H20N2/c1-4-8-12(2)13(11-14)9-6-5-7-10-15-3/h4,7-8,10-11,14H,3,5-6,9H2,1-2H3/b8-4-,10-7-,13-12-,14-11+
InChIKeyAEPMMFUKCWUTBI-SZDCYGOPSA-N
XLogP3.91
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine?
The IUPAC name of (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine (CID 146321691) is (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine.
What is the SMILES notation for (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine?
The canonical SMILES for (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine is [H]/N=C/C(CCC/C=C\N=C)=C(C)\C=C/C.
What is the InChIKey of (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine?
The InChIKey is AEPMMFUKCWUTBI-SZDCYGOPSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-8-12(2)13(11-14)9-6-5-7-10-15-3/h4,7-8,10-11,14H,3,5-6,9H2,1-2H3/b8-4-,10-7-,13-12-,14-11+.
What are the key properties of (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine?
(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine is sourced from PubChem (CID 146321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).