methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene

C11H20N2 — CID 145320881

IUPACmethyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene
SMILESC=CC(C)(C)/C=C(\N=N\C)C(C)C
InChIInChI=1S/C11H20N2/c1-7-11(4,5)8-10(9(2)3)13-12-6/h7-9H,1H2,2-6H3/b10-8-,13-12+
InChIKeyNVPJNHCMCOUHAN-GMXJUQNMSA-N
MW180.29 g/mol
LogP3.82
Rot. Bonds4

About methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene

methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene (PubChem CID 145320881) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene.

Molecular Properties

Compound Namemethyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene
PubChem CID145320881
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Namemethyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene
SMILESC=CC(C)(C)/C=C(\N=N\C)C(C)C
InChIInChI=1S/C11H20N2/c1-7-11(4,5)8-10(9(2)3)13-12-6/h7-9H,1H2,2-6H3/b10-8-,13-12+
InChIKeyNVPJNHCMCOUHAN-GMXJUQNMSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.82
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-azido-4,4-dimethylpent-2-ene
CID 134986194
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
CID 88964772
[(Z)-4,4-dimethylpent-2-en-3-yl]-ethenyldiazene
CID 118281862
3,5,5-Trimethyldiazepine
CID 126635597
ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
CID 130369687
Methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
CID 130442067
3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene
CID 134199567
[(Z)-4,4-dimethylpent-2-en-3-yl]-prop-1-en-2-yldiazene
CID 134199602
methyl-[(Z)-4-methylpent-2-en-3-yl]diazene
CID 134300045
but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene
CID 138474755
[(Z)-4,4-dimethylpent-2-en-3-yl]-methyldiazene
CID 139320139
6-Tert-butyl-4-methyl-3,4-dihydropyridazine
CID 139475229

Frequently Asked Questions

What is the IUPAC name of methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene?
The IUPAC name of methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene (CID 145320881) is methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene.
What is the SMILES notation for methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene?
The canonical SMILES for methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene is C=CC(C)(C)/C=C(\N=N\C)C(C)C.
What is the InChIKey of methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene?
The InChIKey is NVPJNHCMCOUHAN-GMXJUQNMSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-11(4,5)8-10(9(2)3)13-12-6/h7-9H,1H2,2-6H3/b10-8-,13-12+.
What are the key properties of methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene?
methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene has a molecular weight of 180.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene is sourced from PubChem (CID 145320881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).