aniline;ethane;2-methylpropane

C20H36N2 — CID 158321840

IUPACaniline;ethane;2-methylpropane
SMILESCC.CC.CC(C)C.Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/2C6H7N.C4H10.2C2H6/c2*7-6-4-2-1-3-5-6;1-4(2)3;2*1-2/h2*1-5H,7H2;4H,1-3H3;2*1-2H3
InChIKeyGOYFPPDZOSXEJG-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.25
Rot. Bonds

About aniline;ethane;2-methylpropane

aniline;ethane;2-methylpropane (PubChem CID 158321840) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is aniline;ethane;2-methylpropane.

Molecular Properties

Compound Nameaniline;ethane;2-methylpropane
PubChem CID158321840
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Nameaniline;ethane;2-methylpropane
SMILESCC.CC.CC(C)C.Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/2C6H7N.C4H10.2C2H6/c2*7-6-4-2-1-3-5-6;1-4(2)3;2*1-2/h2*1-5H,7H2;4H,1-3H3;2*1-2H3
InChIKeyGOYFPPDZOSXEJG-UHFFFAOYSA-N
XLogP6.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aniline;ethane;2-methylpropane?
The IUPAC name of aniline;ethane;2-methylpropane (CID 158321840) is aniline;ethane;2-methylpropane.
What is the SMILES notation for aniline;ethane;2-methylpropane?
The canonical SMILES for aniline;ethane;2-methylpropane is CC.CC.CC(C)C.Nc1ccccc1.Nc1ccccc1.
What is the InChIKey of aniline;ethane;2-methylpropane?
The InChIKey is GOYFPPDZOSXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C4H10.2C2H6/c2*7-6-4-2-1-3-5-6;1-4(2)3;2*1-2/h2*1-5H,7H2;4H,1-3H3;2*1-2H3.
What are the key properties of aniline;ethane;2-methylpropane?
aniline;ethane;2-methylpropane has a molecular weight of 304.52 g/mol, XLogP of 6.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;ethane;2-methylpropane is sourced from PubChem (CID 158321840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).