(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine

C8H14N2 — CID 146360770

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

About (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine

(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine (PubChem CID 146360770) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine
PubChem CID146360770
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine
SMILESC=CC(=C/C)/C=C(\N)CN
InChIInChI=1S/C8H14N2/c1-3-7(4-2)5-8(10)6-9/h3-5H,1,6,9-10H2,2H3/b7-4-,8-5-
InChIKeyKHRWWWKRAAZZDV-IUNAMMOKSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine?
The IUPAC name of (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine (CID 146360770) is (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine.
What is the SMILES notation for (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine?
The canonical SMILES for (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine is C=CC(=C/C)/C=C(\N)CN.
What is the InChIKey of (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine?
The InChIKey is KHRWWWKRAAZZDV-IUNAMMOKSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7(4-2)5-8(10)6-9/h3-5H,1,6,9-10H2,2H3/b7-4-,8-5-.
What are the key properties of (2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine?
(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-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,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 146360770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).