(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine

C8H14N2 — CID 155051577

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

About (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine

(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine (PubChem CID 155051577) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
PubChem CID155051577
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
SMILESC=C/C(=C\C=C(/C)N)CN
InChIInChI=1S/C8H14N2/c1-3-8(6-9)5-4-7(2)10/h3-5H,1,6,9-10H2,2H3/b7-4+,8-5+
InChIKeyJAZIFCJFXKYVDQ-NSLJXJERSA-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

5-Fluoro-2-methylpenta-2,4-diene-1,4-diamine
CID 152735622
3-(aminomethyl)-N-fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 143497881
(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine
CID 59222469
Cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine
CID 68781902
(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine
CID 87160586
(2E,4Z)-hepta-2,4-diene-1,2-diamine
CID 87415335
(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-amine
CID 88283404
(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine
CID 88542875
(3E,5Z)-3-methylhepta-1,3,5-trien-2-amine
CID 88570009
(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine
CID 88572022
Hexa-2,4-diene-1,5-diamine
CID 88683556
(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine
CID 88684801

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine (CID 155051577) is (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine is C=C/C(=C\C=C(/C)N)CN.
What is the InChIKey of (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine?
The InChIKey is JAZIFCJFXKYVDQ-NSLJXJERSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(6-9)5-4-7(2)10/h3-5H,1,6,9-10H2,2H3/b7-4+,8-5+.
What are the key properties of (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine?
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-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 (2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 155051577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).