(2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine

C14H22N2 — CID 89010002

IUPAC(2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine
SMILESC=C/C=C(\C=C/CN)C(/CC)=C(N)/C=C\C
InChIInChI=1S/C14H22N2/c1-4-8-12(10-7-11-15)13(6-3)14(16)9-5-2/h4-5,7-10H,1,6,11,15-16H2,2-3H3/b9-5-,10-7-,12-8+,14-13-
InChIKeyGKQGDWTXWBHCNS-WZWHZMTQSA-N
MW218.34 g/mol
LogP2.81
Rot. Bonds6

About (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine

(2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine (PubChem CID 89010002) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine.

Molecular Properties

Compound Name(2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine
PubChem CID89010002
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine
SMILESC=C/C=C(\C=C/CN)C(/CC)=C(N)/C=C\C
InChIInChI=1S/C14H22N2/c1-4-8-12(10-7-11-15)13(6-3)14(16)9-5-2/h4-5,7-10H,1,6,11,15-16H2,2-3H3/b9-5-,10-7-,12-8+,14-13-
InChIKeyGKQGDWTXWBHCNS-WZWHZMTQSA-N
XLogP2.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine?
The IUPAC name of (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine (CID 89010002) is (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine.
What is the SMILES notation for (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine?
The canonical SMILES for (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine is C=C/C=C(\C=C/CN)C(/CC)=C(N)/C=C\C.
What is the InChIKey of (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine?
The InChIKey is GKQGDWTXWBHCNS-WZWHZMTQSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-8-12(10-7-11-15)13(6-3)14(16)9-5-2/h4-5,7-10H,1,6,11,15-16H2,2-3H3/b9-5-,10-7-,12-8+,14-13-.
What are the key properties of (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine?
(2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z,7Z)-5-ethyl-4-prop-2-enylidenenona-2,5,7-triene-1,6-diamine is sourced from PubChem (CID 89010002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).