butane;ethyl(methyl)diazene;naphthalene;propane

C20H34N2 — CID 91245836

IUPACbutane;ethyl(methyl)diazene;naphthalene;propane
SMILESCC/N=N/C.CCC.CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H10.C3H8N2.C3H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;1-3-5-4-2;1-3-2/h1-8H;3-4H2,1-2H3;3H2,1-2H3;3H2,1-2H3/b;;5-4+;
InChIKeyJEQSWXBPAQMSMV-IUUWYBMPSA-N
MW302.51 g/mol
LogP7.15
Rot. Bonds2

About butane;ethyl(methyl)diazene;naphthalene;propane

butane;ethyl(methyl)diazene;naphthalene;propane (PubChem CID 91245836) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is butane;ethyl(methyl)diazene;naphthalene;propane.

Molecular Properties

Compound Namebutane;ethyl(methyl)diazene;naphthalene;propane
PubChem CID91245836
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Namebutane;ethyl(methyl)diazene;naphthalene;propane
SMILESCC/N=N/C.CCC.CCCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H10.C3H8N2.C3H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;1-3-5-4-2;1-3-2/h1-8H;3-4H2,1-2H3;3H2,1-2H3;3H2,1-2H3/b;;5-4+;
InChIKeyJEQSWXBPAQMSMV-IUUWYBMPSA-N
XLogP7.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 57.15
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

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Frequently Asked Questions

What is the IUPAC name of butane;ethyl(methyl)diazene;naphthalene;propane?
The IUPAC name of butane;ethyl(methyl)diazene;naphthalene;propane (CID 91245836) is butane;ethyl(methyl)diazene;naphthalene;propane.
What is the SMILES notation for butane;ethyl(methyl)diazene;naphthalene;propane?
The canonical SMILES for butane;ethyl(methyl)diazene;naphthalene;propane is CC/N=N/C.CCC.CCCC.c1ccc2ccccc2c1.
What is the InChIKey of butane;ethyl(methyl)diazene;naphthalene;propane?
The InChIKey is JEQSWXBPAQMSMV-IUUWYBMPSA-N. The full InChI is InChI=1S/C10H8.C4H10.C3H8N2.C3H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-2;1-3-5-4-2;1-3-2/h1-8H;3-4H2,1-2H3;3H2,1-2H3;3H2,1-2H3/b;;5-4+;.
What are the key properties of butane;ethyl(methyl)diazene;naphthalene;propane?
butane;ethyl(methyl)diazene;naphthalene;propane has a molecular weight of 302.51 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethyl(methyl)diazene;naphthalene;propane is sourced from PubChem (CID 91245836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).