3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene

C13H24N2 — CID 134199567

IUPAC3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene
SMILESC=C(/N=N/C(=C\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-9-11(13(6,7)8)15-14-10(2)12(3,4)5/h9H,2H2,1,3-8H3/b11-9-,15-14+
InChIKeyPKXKLWDTYCOYSH-DVRQTUGZSA-N
MW208.35 g/mol
LogP4.95
Rot. Bonds2

About 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene

3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene (PubChem CID 134199567) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene.

Molecular Properties

Compound Name3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene
PubChem CID134199567
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene
SMILESC=C(/N=N/C(=C\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-9-11(13(6,7)8)15-14-10(2)12(3,4)5/h9H,2H2,1,3-8H3/b11-9-,15-14+
InChIKeyPKXKLWDTYCOYSH-DVRQTUGZSA-N
XLogP4.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.95
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'}

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Related Compounds

(E)-2-azido-4,4-dimethylpent-2-ene
CID 134986194
2,2-Dimethylhex-3-en-3-amine
CID 87564715
(Z)-2,2-dimethylhex-3-en-3-amine
CID 88949038
[(Z)-4,4-dimethylpent-2-en-3-yl]-ethenyldiazene
CID 118281862
4,5-Ditert-butyl-1,3-diaza-2-azoniacyclopenta-1,2,4-triene
CID 123811593
(3Z)-6-ethyl-3-ethylidene-4H-pyridazine
CID 130441089
(E)-2,2-dimethylhex-3-en-3-amine
CID 134173375
[(Z)-4,4-dimethylpent-2-en-3-yl]-prop-1-en-2-yldiazene
CID 134199602
(E)-2,2,5,5-tetramethylhex-3-en-3-amine
CID 138467174
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 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene?
The IUPAC name of 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene (CID 134199567) is 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene.
What is the SMILES notation for 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene?
The canonical SMILES for 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene is C=C(/N=N/C(=C\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene?
The InChIKey is PKXKLWDTYCOYSH-DVRQTUGZSA-N. The full InChI is InChI=1S/C13H24N2/c1-9-11(13(6,7)8)15-14-10(2)12(3,4)5/h9H,2H2,1,3-8H3/b11-9-,15-14+.
What are the key properties of 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene?
3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene has a molecular weight of 208.35 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-en-2-yl-[(Z)-4,4-dimethylpent-2-en-3-yl]diazene is sourced from PubChem (CID 134199567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).