[(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene

C10H16N2 — CID 123685184

IUPAC[(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene
SMILES[H]/N=N/C(=C(C)C)/C(C=CC)=C\C
InChIInChI=1S/C10H16N2/c1-5-7-9(6-2)10(12-11)8(3)4/h5-7,11H,1-4H3/b7-5?,9-6-,12-11+
InChIKeyRRHQKCJULXJVBN-HPTKLFNKSA-N
MW164.25 g/mol
LogP3.83
Rot. Bonds3

About [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene

[(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene (PubChem CID 123685184) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene.

Molecular Properties

Compound Name[(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene
PubChem CID123685184
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name[(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene
SMILES[H]/N=N/C(=C(C)C)/C(C=CC)=C\C
InChIInChI=1S/C10H16N2/c1-5-7-9(6-2)10(12-11)8(3)4/h5-7,11H,1-4H3/b7-5?,9-6-,12-11+
InChIKeyRRHQKCJULXJVBN-HPTKLFNKSA-N
XLogP3.83
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
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'}

Analyze [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene
CID 123261386
5,7,12,14-Tetramethyl-tetraaza[14]annulene
CID 129852918
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
1-(Aminodiazenyl)-4-methylbenzene-6-ide;yttrium
CID 57641196
1-Azido-2,4-dimethylbenzene-3-ide;yttrium
CID 57880083
CID 59943397
CID 59943397
Benzene;(2-methylbenzene-4-id-1-yl)iminoazanium;yttrium
CID 59972132
(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine
CID 88542974
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
CID 88964772
[(3E,5Z)-octa-3,5-dien-4-yl]diazene
CID 89030933
[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]diazene
CID 89278503
[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]diazene
CID 89383863

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene?
The IUPAC name of [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene (CID 123685184) is [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene.
What is the SMILES notation for [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene?
The canonical SMILES for [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene is [H]/N=N/C(=C(C)C)/C(C=CC)=C\C.
What is the InChIKey of [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene?
The InChIKey is RRHQKCJULXJVBN-HPTKLFNKSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-9(6-2)10(12-11)8(3)4/h5-7,11H,1-4H3/b7-5?,9-6-,12-11+.
What are the key properties of [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene?
[(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene has a molecular weight of 164.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-ethylidene-2-methylhepta-2,5-dien-3-yl]diazene is sourced from PubChem (CID 123685184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).