methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene

C9H16N2 — CID 139436610

IUPACmethyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene
SMILESC/N=N/C=C\C=C/CC(C)C
InChIInChI=1S/C9H16N2/c1-9(2)7-5-4-6-8-11-10-3/h4-6,8-9H,7H2,1-3H3/b5-4-,8-6-,11-10+
InChIKeyFDGICXNWJXELNM-UGZLTBGYSA-N
MW152.24 g/mol
LogP3.18
Rot. Bonds4

About methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene

methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene (PubChem CID 139436610) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene.

Molecular Properties

Compound Namemethyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene
PubChem CID139436610
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Namemethyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene
SMILESC/N=N/C=C\C=C/CC(C)C
InChIInChI=1S/C9H16N2/c1-9(2)7-5-4-6-8-11-10-3/h4-6,8-9H,7H2,1-3H3/b5-4-,8-6-,11-10+
InChIKeyFDGICXNWJXELNM-UGZLTBGYSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene?
The IUPAC name of methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene (CID 139436610) is methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene.
What is the SMILES notation for methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene?
The canonical SMILES for methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene is C/N=N/C=C\C=C/CC(C)C.
What is the InChIKey of methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene?
The InChIKey is FDGICXNWJXELNM-UGZLTBGYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)7-5-4-6-8-11-10-3/h4-6,8-9H,7H2,1-3H3/b5-4-,8-6-,11-10+.
What are the key properties of methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene?
methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene has a molecular weight of 152.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1Z,3Z)-6-methylhepta-1,3-dienyl]diazene is sourced from PubChem (CID 139436610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).