(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine

C10H18N2 — CID 170199054

IUPAC(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
SMILESC/C=C\C(NC)=C(/C=C\C)NC
InChIInChI=1S/C10H18N2/c1-5-7-9(11-3)10(12-4)8-6-2/h5-8,11-12H,1-4H3/b7-5-,8-6-,10-9-
InChIKeyJOPOEZFQMLKBPD-HDKJAUSJSA-N
MW166.27 g/mol
LogP1.79
Rot. Bonds4

About (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine

(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine (PubChem CID 170199054) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
PubChem CID170199054
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
SMILESC/C=C\C(NC)=C(/C=C\C)NC
InChIInChI=1S/C10H18N2/c1-5-7-9(11-3)10(12-4)8-6-2/h5-8,11-12H,1-4H3/b7-5-,8-6-,10-9-
InChIKeyJOPOEZFQMLKBPD-HDKJAUSJSA-N
XLogP1.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.79
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,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine?
The IUPAC name of (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine (CID 170199054) is (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine.
What is the SMILES notation for (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine?
The canonical SMILES for (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine is C/C=C\C(NC)=C(/C=C\C)NC.
What is the InChIKey of (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine?
The InChIKey is JOPOEZFQMLKBPD-HDKJAUSJSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-9(11-3)10(12-4)8-6-2/h5-8,11-12H,1-4H3/b7-5-,8-6-,10-9-.
What are the key properties of (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine?
(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine is sourced from PubChem (CID 170199054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).