3,4-bis(ethenyl)aniline;ethane

C12H17N — CID 142131680

IUPAC3,4-bis(ethenyl)aniline;ethane
SMILESC=Cc1ccc(N)cc1C=C.CC
InChIInChI=1S/C10H11N.C2H6/c1-3-8-5-6-10(11)7-9(8)4-2;1-2/h3-7H,1-2,11H2;1-2H3
InChIKeyUFEPVJLHDSDJKU-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.58
Rot. Bonds2

About 3,4-bis(ethenyl)aniline;ethane

3,4-bis(ethenyl)aniline;ethane (PubChem CID 142131680) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3,4-bis(ethenyl)aniline;ethane.

Molecular Properties

Compound Name3,4-bis(ethenyl)aniline;ethane
PubChem CID142131680
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3,4-bis(ethenyl)aniline;ethane
SMILESC=Cc1ccc(N)cc1C=C.CC
InChIInChI=1S/C10H11N.C2H6/c1-3-8-5-6-10(11)7-9(8)4-2;1-2/h3-7H,1-2,11H2;1-2H3
InChIKeyUFEPVJLHDSDJKU-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
phenazine-2,3,7-triamine
CID 13244876
3,6-diamino-1-ethenylxanthen-9-one
CID 166473519
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
4-[3,4-bis(ethenyl)phenoxy]-1,2-bis(ethenyl)benzene
CID 171717400
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
ethane;quinoxalin-6-amine
CID 143926479
4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)aniline;ethane?
The IUPAC name of 3,4-bis(ethenyl)aniline;ethane (CID 142131680) is 3,4-bis(ethenyl)aniline;ethane.
What is the SMILES notation for 3,4-bis(ethenyl)aniline;ethane?
The canonical SMILES for 3,4-bis(ethenyl)aniline;ethane is C=Cc1ccc(N)cc1C=C.CC.
What is the InChIKey of 3,4-bis(ethenyl)aniline;ethane?
The InChIKey is UFEPVJLHDSDJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C2H6/c1-3-8-5-6-10(11)7-9(8)4-2;1-2/h3-7H,1-2,11H2;1-2H3.
What are the key properties of 3,4-bis(ethenyl)aniline;ethane?
3,4-bis(ethenyl)aniline;ethane has a molecular weight of 175.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)aniline;ethane is sourced from PubChem (CID 142131680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).