(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine

C8H14N2 — CID 130371607

IUPAC(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
SMILESC=C/C=C(/N)C(=C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(9)7(2)10(3)4/h5-6H,1-2,9H2,3-4H3/b8-6+
InChIKeyPLNMFUYOIDFGDT-SOFGYWHQSA-N
MW138.21 g/mol
LogP1.09
Rot. Bonds3

About (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine

(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine (PubChem CID 130371607) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine.

Molecular Properties

Compound Name(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
PubChem CID130371607
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
SMILESC=C/C=C(/N)C(=C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(9)7(2)10(3)4/h5-6H,1-2,9H2,3-4H3/b8-6+
InChIKeyPLNMFUYOIDFGDT-SOFGYWHQSA-N
XLogP1.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine?
The IUPAC name of (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine (CID 130371607) is (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine.
What is the SMILES notation for (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine?
The canonical SMILES for (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine is C=C/C=C(/N)C(=C)N(C)C.
What is the InChIKey of (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine?
The InChIKey is PLNMFUYOIDFGDT-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-8(9)7(2)10(3)4/h5-6H,1-2,9H2,3-4H3/b8-6+.
What are the key properties of (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine?
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine has a molecular weight of 138.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine is sourced from PubChem (CID 130371607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).