(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine

C8H14N2 — CID 143142825

IUPAC(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine
SMILESC=C/C=C(N)\C(=C/C)CN
InChIInChI=1S/C8H14N2/c1-3-5-8(10)7(4-2)6-9/h3-5H,1,6,9-10H2,2H3/b7-4-,8-5+
InChIKeyHTMDEWJCSUNFNZ-DKBJKEKUSA-N
MW138.21 g/mol
LogP0.92
Rot. Bonds3

About (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine

(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine (PubChem CID 143142825) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine
PubChem CID143142825
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine
SMILESC=C/C=C(N)\C(=C/C)CN
InChIInChI=1S/C8H14N2/c1-3-5-8(10)7(4-2)6-9/h3-5H,1,6,9-10H2,2H3/b7-4-,8-5+
InChIKeyHTMDEWJCSUNFNZ-DKBJKEKUSA-N
XLogP0.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4E)-4-chloro-3-ethylidenehepta-4,6-dien-1-amine
CID 166968437
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
S-[(3E,5E)-5-aminohepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143851361
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
(3E)-2-chlorohexa-1,3,5-trien-3-amine
CID 156824437
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
(3E,5E)-5-[2-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]diaziridin-1-yl]hepta-1,3,5-trien-4-ol
CID 155061302
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine?
The IUPAC name of (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine (CID 143142825) is (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine.
What is the SMILES notation for (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine?
The canonical SMILES for (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine is C=C/C=C(N)\C(=C/C)CN.
What is the InChIKey of (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine?
The InChIKey is HTMDEWJCSUNFNZ-DKBJKEKUSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-8(10)7(4-2)6-9/h3-5H,1,6,9-10H2,2H3/b7-4-,8-5+.
What are the key properties of (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine?
(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 143142825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).