ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene

C13H30N2 — CID 144528012

IUPACethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene
SMILESC=C(C)/C=C(C)\N=N\C.CC.CC.CC
InChIInChI=1S/C7H12N2.3C2H6/c1-6(2)5-7(3)9-8-4;3*1-2/h5H,1H2,2-4H3;3*1-2H3/b7-5-,9-8+;;;
InChIKeyBZSRCEOQBRUVGQ-RGKZBXETSA-N
MW214.40 g/mol
LogP5.63
Rot. Bonds2

About ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene

ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene (PubChem CID 144528012) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene.

Molecular Properties

Compound Nameethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene
PubChem CID144528012
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene
SMILESC=C(C)/C=C(C)\N=N\C.CC.CC.CC
InChIInChI=1S/C7H12N2.3C2H6/c1-6(2)5-7(3)9-8-4;3*1-2/h5H,1H2,2-4H3;3*1-2H3/b7-5-,9-8+;;;
InChIKeyBZSRCEOQBRUVGQ-RGKZBXETSA-N
XLogP5.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.40
LogP ≤ 55.63
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 ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene?
The IUPAC name of ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene (CID 144528012) is ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene.
What is the SMILES notation for ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene?
The canonical SMILES for ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene is C=C(C)/C=C(C)\N=N\C.CC.CC.CC.
What is the InChIKey of ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene?
The InChIKey is BZSRCEOQBRUVGQ-RGKZBXETSA-N. The full InChI is InChI=1S/C7H12N2.3C2H6/c1-6(2)5-7(3)9-8-4;3*1-2/h5H,1H2,2-4H3;3*1-2H3/b7-5-,9-8+;;;.
What are the key properties of ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene?
ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene has a molecular weight of 214.40 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene is sourced from PubChem (CID 144528012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).