(3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine

C14H24N2 — CID 123272950

IUPAC(3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine
SMILESC/C=C(CCC(=C/C)/C(C)=N/C)\C(C)=N\C
InChIInChI=1S/C14H24N2/c1-7-13(11(3)15-5)9-10-14(8-2)12(4)16-6/h7-8H,9-10H2,1-6H3/b13-7-,14-8-,15-11+,16-12+
InChIKeyJSFFADRRZBQGOQ-YCHNUKPBSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds5

About (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine

(3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine (PubChem CID 123272950) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine.

Molecular Properties

Compound Name(3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine
PubChem CID123272950
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine
SMILESC/C=C(CCC(=C/C)/C(C)=N/C)\C(C)=N\C
InChIInChI=1S/C14H24N2/c1-7-13(11(3)15-5)9-10-14(8-2)12(4)16-6/h7-8H,9-10H2,1-6H3/b13-7-,14-8-,15-11+,16-12+
InChIKeyJSFFADRRZBQGOQ-YCHNUKPBSA-N
XLogP3.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
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1-N,2-N,4,5-tetramethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762103
1-N,2-N,4-trimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762104

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine?
The IUPAC name of (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine (CID 123272950) is (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine.
What is the SMILES notation for (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine?
The canonical SMILES for (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine is C/C=C(CCC(=C/C)/C(C)=N/C)\C(C)=N\C.
What is the InChIKey of (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine?
The InChIKey is JSFFADRRZBQGOQ-YCHNUKPBSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-13(11(3)15-5)9-10-14(8-2)12(4)16-6/h7-8H,9-10H2,1-6H3/b13-7-,14-8-,15-11+,16-12+.
What are the key properties of (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine?
(3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine has a molecular weight of 220.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3,6-di(ethylidene)-2-N,7-N-dimethyloctane-2,7-diimine is sourced from PubChem (CID 123272950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).