(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine

C9H16N2 — CID 89204108

IUPAC(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(NC)/C(C)=C\C(C)=C/N
InChIInChI=1S/C9H16N2/c1-7(6-10)5-8(2)9(3)11-4/h5-6,11H,3,10H2,1-2,4H3/b7-6-,8-5-
InChIKeyPMZQZJZILICPPI-HSHIGALWSA-N
MW152.24 g/mol
LogP1.53
Rot. Bonds3

About (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine

(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine (PubChem CID 89204108) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine
PubChem CID89204108
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(NC)/C(C)=C\C(C)=C/N
InChIInChI=1S/C9H16N2/c1-7(6-10)5-8(2)9(3)11-4/h5-6,11H,3,10H2,1-2,4H3/b7-6-,8-5-
InChIKeyPMZQZJZILICPPI-HSHIGALWSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.53
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,2,4-trimethylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine (CID 89204108) is (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine is C=C(NC)/C(C)=C\C(C)=C/N.
What is the InChIKey of (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is PMZQZJZILICPPI-HSHIGALWSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(6-10)5-8(2)9(3)11-4/h5-6,11H,3,10H2,1-2,4H3/b7-6-,8-5-.
What are the key properties of (1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine?
(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.53, 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,2,4-trimethylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89204108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).