[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene

C12H22N2 — CID 134458950

IUPAC[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
SMILESC=C(C)/N=N/C(=C\C)C(C)(CC)CC
InChIInChI=1S/C12H22N2/c1-7-11(14-13-10(4)5)12(6,8-2)9-3/h7H,4,8-9H2,1-3,5-6H3/b11-7-,14-13+
InChIKeyLCEZVRBVCPYCRG-UKCOVKCYSA-N
MW194.32 g/mol
LogP4.70
Rot. Bonds5

About [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene

[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene (PubChem CID 134458950) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene.

Molecular Properties

Compound Name[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
PubChem CID134458950
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
SMILESC=C(C)/N=N/C(=C\C)C(C)(CC)CC
InChIInChI=1S/C12H22N2/c1-7-11(14-13-10(4)5)12(6,8-2)9-3/h7H,4,8-9H2,1-3,5-6H3/b11-7-,14-13+
InChIKeyLCEZVRBVCPYCRG-UKCOVKCYSA-N
XLogP4.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.70
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

4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
[(Z)-but-2-en-2-yl]-(2-methylbutan-2-yl)diazene
CID 135258495
3-ethyl-2-fluoro-3-methylpent-1-ene
CID 123981709
3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 162552052
N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
CID 130341594
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
3-ethyl-2,3,4,4-tetramethylpent-1-ene
CID 13031508
[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene
CID 176953157
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 142531838
3-ethyl-2,3-dimethylpenta-1,4-diene
CID 123241142
3-ethyl-3,6-dimethyl-5-methylidenehept-6-en-2-one
CID 59467315

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene?
The IUPAC name of [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene (CID 134458950) is [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene.
What is the SMILES notation for [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene?
The canonical SMILES for [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene is C=C(C)/N=N/C(=C\C)C(C)(CC)CC.
What is the InChIKey of [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene?
The InChIKey is LCEZVRBVCPYCRG-UKCOVKCYSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-11(14-13-10(4)5)12(6,8-2)9-3/h7H,4,8-9H2,1-3,5-6H3/b11-7-,14-13+.
What are the key properties of [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene?
[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene has a molecular weight of 194.32 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene is sourced from PubChem (CID 134458950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).