aniline;buta-1,3-dien-2-amine;ethane;ethene

C18H36N2 — CID 143134193

IUPACaniline;buta-1,3-dien-2-amine;ethane;ethene
SMILESC=C.C=CC(=C)N.CC.CC.CC.Nc1ccccc1
InChIInChI=1S/C6H7N.C4H7N.3C2H6.C2H4/c7-6-4-2-1-3-5-6;1-3-4(2)5;4*1-2/h1-5H,7H2;3H,1-2,5H2;3*1-2H3;1-2H2
InChIKeyMDFOJGIRAQRHBZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.79
Rot. Bonds1

About aniline;buta-1,3-dien-2-amine;ethane;ethene

aniline;buta-1,3-dien-2-amine;ethane;ethene (PubChem CID 143134193) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is aniline;buta-1,3-dien-2-amine;ethane;ethene.

Molecular Properties

Compound Nameaniline;buta-1,3-dien-2-amine;ethane;ethene
PubChem CID143134193
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Nameaniline;buta-1,3-dien-2-amine;ethane;ethene
SMILESC=C.C=CC(=C)N.CC.CC.CC.Nc1ccccc1
InChIInChI=1S/C6H7N.C4H7N.3C2H6.C2H4/c7-6-4-2-1-3-5-6;1-3-4(2)5;4*1-2/h1-5H,7H2;3H,1-2,5H2;3*1-2H3;1-2H2
InChIKeyMDFOJGIRAQRHBZ-UHFFFAOYSA-N
XLogP5.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze aniline;buta-1,3-dien-2-amine;ethane;ethene 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

aniline;ethane;2-methylprop-1-ene
CID 123218647
aniline;methanol
CID 140536335
aniline;(3Z)-3-methylpenta-1,3-diene;hydrochloride
CID 142254688
aniline;benzene;ethane;iodomethane
CID 161231070
aniline;carbanide;ethane;yttrium
CID 160556611
2-aminoprop-2-enamide;aniline
CID 143815289
aniline;formaldehyde;urea
CID 68656751
aniline;ethane;2-methylpropane
CID 158321840
aniline;methylphosphane
CID 142605603
aniline;azane
CID 171780637
aniline;mercury(2+)
CID 23616182
aniline;mercury
CID 54604260

Frequently Asked Questions

What is the IUPAC name of aniline;buta-1,3-dien-2-amine;ethane;ethene?
The IUPAC name of aniline;buta-1,3-dien-2-amine;ethane;ethene (CID 143134193) is aniline;buta-1,3-dien-2-amine;ethane;ethene.
What is the SMILES notation for aniline;buta-1,3-dien-2-amine;ethane;ethene?
The canonical SMILES for aniline;buta-1,3-dien-2-amine;ethane;ethene is C=C.C=CC(=C)N.CC.CC.CC.Nc1ccccc1.
What is the InChIKey of aniline;buta-1,3-dien-2-amine;ethane;ethene?
The InChIKey is MDFOJGIRAQRHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H7N.3C2H6.C2H4/c7-6-4-2-1-3-5-6;1-3-4(2)5;4*1-2/h1-5H,7H2;3H,1-2,5H2;3*1-2H3;1-2H2.
What are the key properties of aniline;buta-1,3-dien-2-amine;ethane;ethene?
aniline;buta-1,3-dien-2-amine;ethane;ethene has a molecular weight of 280.50 g/mol, XLogP of 5.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;buta-1,3-dien-2-amine;ethane;ethene is sourced from PubChem (CID 143134193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).