(1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine

C7H12N2 — CID 88885466

IUPAC(1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C\C=C/N)NC
InChIInChI=1S/C7H12N2/c1-7(9-2)5-3-4-6-8/h3-6,9H,1,8H2,2H3/b5-3-,6-4-
InChIKeySLCNANWXVYCPNN-GLIMQPGKSA-N
MW124.19 g/mol
LogP0.75
Rot. Bonds3

About (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine

(1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine (PubChem CID 88885466) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine
PubChem CID88885466
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C\C=C/N)NC
InChIInChI=1S/C7H12N2/c1-7(9-2)5-3-4-6-8/h3-6,9H,1,8H2,2H3/b5-3-,6-4-
InChIKeySLCNANWXVYCPNN-GLIMQPGKSA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.75
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 (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine (CID 88885466) is (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine is C=C(/C=C\C=C/N)NC.
What is the InChIKey of (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is SLCNANWXVYCPNN-GLIMQPGKSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(9-2)5-3-4-6-8/h3-6,9H,1,8H2,2H3/b5-3-,6-4-.
What are the key properties of (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine?
(1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-N-methylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 88885466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).