(2E,4Z)-hexa-2,4-diene-1,2-diamine

C6H12N2 — CID 89088938

IUPAC(2E,4Z)-hexa-2,4-diene-1,2-diamine
SMILESC/C=C\C=C(\N)CN
InChIInChI=1S/C6H12N2/c1-2-3-4-6(8)5-7/h2-4H,5,7-8H2,1H3/b3-2-,6-4+
InChIKeyMCDHCYZFQQJWOK-MGLVMYNNSA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds2

About (2E,4Z)-hexa-2,4-diene-1,2-diamine

(2E,4Z)-hexa-2,4-diene-1,2-diamine (PubChem CID 89088938) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (2E,4Z)-hexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2E,4Z)-hexa-2,4-diene-1,2-diamine
PubChem CID89088938
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(2E,4Z)-hexa-2,4-diene-1,2-diamine
SMILESC/C=C\C=C(\N)CN
InChIInChI=1S/C6H12N2/c1-2-3-4-6(8)5-7/h2-4H,5,7-8H2,1H3/b3-2-,6-4+
InChIKeyMCDHCYZFQQJWOK-MGLVMYNNSA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.36
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

ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(2Z,4Z)-1-(4-phenylphenyl)hexa-2,4-dien-2-amine
CID 145299472
(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
CID 166872953
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
CID 145347359
(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine
CID 146360770
(3E,5Z)-2-hydrazinylhepta-1,3,5-trien-3-amine
CID 134408250
N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-hexa-2,4-diene-1,2-diamine?
The IUPAC name of (2E,4Z)-hexa-2,4-diene-1,2-diamine (CID 89088938) is (2E,4Z)-hexa-2,4-diene-1,2-diamine.
What is the SMILES notation for (2E,4Z)-hexa-2,4-diene-1,2-diamine?
The canonical SMILES for (2E,4Z)-hexa-2,4-diene-1,2-diamine is C/C=C\C=C(\N)CN.
What is the InChIKey of (2E,4Z)-hexa-2,4-diene-1,2-diamine?
The InChIKey is MCDHCYZFQQJWOK-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-4-6(8)5-7/h2-4H,5,7-8H2,1H3/b3-2-,6-4+.
What are the key properties of (2E,4Z)-hexa-2,4-diene-1,2-diamine?
(2E,4Z)-hexa-2,4-diene-1,2-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-hexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 89088938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).