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

C8H14N2 — CID 126667514

IUPAC(1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine
SMILESC=C/C=C(C)\C(N)=C/NC
InChIInChI=1S/C8H14N2/c1-4-5-7(2)8(9)6-10-3/h4-6,10H,1,9H2,2-3H3/b7-5-,8-6+
InChIKeyPQWKLXHDYONMKR-CGXWXWIYSA-N
MW138.21 g/mol
LogP1.14
Rot. Bonds3

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

(1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine (PubChem CID 126667514) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine
PubChem CID126667514
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine
SMILESC=C/C=C(C)\C(N)=C/NC
InChIInChI=1S/C8H14N2/c1-4-5-7(2)8(9)6-10-3/h4-6,10H,1,9H2,2-3H3/b7-5-,8-6+
InChIKeyPQWKLXHDYONMKR-CGXWXWIYSA-N
XLogP1.14
TPSA38.05 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 ≤ 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 (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine?
The IUPAC name of (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine (CID 126667514) is (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine.
What is the SMILES notation for (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine?
The canonical SMILES for (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine is C=C/C=C(C)\C(N)=C/NC.
What is the InChIKey of (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine?
The InChIKey is PQWKLXHDYONMKR-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-7(2)8(9)6-10-3/h4-6,10H,1,9H2,2-3H3/b7-5-,8-6+.
What are the key properties of (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine?
(1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine has a molecular weight of 138.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 126667514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).