(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine

C8H16N2 — CID 88542875

IUPAC(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine
SMILESCC(C)=C(N)/C=C(/C)CN
InChIInChI=1S/C8H16N2/c1-6(2)8(10)4-7(3)5-9/h4H,5,9-10H2,1-3H3/b7-4-
InChIKeyFKKREMWEBJBZGR-DAXSKMNVSA-N
MW140.23 g/mol
LogP1.14
Rot. Bonds2

About (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine

(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine (PubChem CID 88542875) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine
PubChem CID88542875
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine
SMILESCC(C)=C(N)/C=C(/C)CN
InChIInChI=1S/C8H16N2/c1-6(2)8(10)4-7(3)5-9/h4H,5,9-10H2,1-3H3/b7-4-
InChIKeyFKKREMWEBJBZGR-DAXSKMNVSA-N
XLogP1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.14
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)-2,5-dimethylhexa-2,4-diene-1,4-diamine?
The IUPAC name of (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine (CID 88542875) is (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine.
What is the SMILES notation for (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine?
The canonical SMILES for (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine is CC(C)=C(N)/C=C(/C)CN.
What is the InChIKey of (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine?
The InChIKey is FKKREMWEBJBZGR-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(10)4-7(3)5-9/h4H,5,9-10H2,1-3H3/b7-4-.
What are the key properties of (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine?
(2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,5-dimethylhexa-2,4-diene-1,4-diamine is sourced from PubChem (CID 88542875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).