(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine

C13H17N — CID 134224473

IUPAC(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine
SMILESC=C/C=C\C(=C/C)\C(C=C)=C(/N)C=C
InChIInChI=1S/C13H17N/c1-5-9-10-11(6-2)12(7-3)13(14)8-4/h5-10H,1,3-4,14H2,2H3/b10-9-,11-6+,13-12-
InChIKeyJTWGJWXNHGSPPA-HWHDHUECSA-N
MW187.29 g/mol
LogP3.26
Rot. Bonds5

About (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine

(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine (PubChem CID 134224473) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine.

Molecular Properties

Compound Name(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine
PubChem CID134224473
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine
SMILESC=C/C=C\C(=C/C)\C(C=C)=C(/N)C=C
InChIInChI=1S/C13H17N/c1-5-9-10-11(6-2)12(7-3)13(14)8-4/h5-10H,1,3-4,14H2,2H3/b10-9-,11-6+,13-12-
InChIKeyJTWGJWXNHGSPPA-HWHDHUECSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1,4-dichloro-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]buta-1,3-diene-1,4-diamine
CID 143002594
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
CID 118361831
(3E,4Z)-3-ethylidene-N-prop-1-en-2-ylhepta-1,4,6-trien-2-amine
CID 170141332
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
ethane;(3E,4Z)-3-ethylidene-1,1,1-trifluorohepta-4,6-dien-2-one
CID 167454671
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
(4Z)-5-amino-4-ethenylhepta-4,6-dien-3-one
CID 156794356

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine?
The IUPAC name of (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine (CID 134224473) is (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine.
What is the SMILES notation for (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine?
The canonical SMILES for (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine is C=C/C=C\C(=C/C)\C(C=C)=C(/N)C=C.
What is the InChIKey of (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine?
The InChIKey is JTWGJWXNHGSPPA-HWHDHUECSA-N. The full InChI is InChI=1S/C13H17N/c1-5-9-10-11(6-2)12(7-3)13(14)8-4/h5-10H,1,3-4,14H2,2H3/b10-9-,11-6+,13-12-.
What are the key properties of (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine?
(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine has a molecular weight of 187.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine is sourced from PubChem (CID 134224473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).