butane;N-ethenyl-2-methylaniline

C13H21N — CID 142042280

IUPACbutane;N-ethenyl-2-methylaniline
SMILESC=CNc1ccccc1C.CCCC
InChIInChI=1S/C9H11N.C4H10/c1-3-10-9-7-5-4-6-8(9)2;1-3-4-2/h3-7,10H,1H2,2H3;3-4H2,1-2H3
InChIKeyCZVOZORFGSSSOR-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.36
Rot. Bonds3

About butane;N-ethenyl-2-methylaniline

butane;N-ethenyl-2-methylaniline (PubChem CID 142042280) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is butane;N-ethenyl-2-methylaniline.

Molecular Properties

Compound Namebutane;N-ethenyl-2-methylaniline
PubChem CID142042280
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Namebutane;N-ethenyl-2-methylaniline
SMILESC=CNc1ccccc1C.CCCC
InChIInChI=1S/C9H11N.C4H10/c1-3-10-9-7-5-4-6-8(9)2;1-3-4-2/h3-7,10H,1H2,2H3;3-4H2,1-2H3
InChIKeyCZVOZORFGSSSOR-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethenyl-2-methylaniline
CID 142183828
N-ethenyl-2,3-dimethylaniline
CID 70358153
2-but-1-en-2-yl-N-ethenylaniline
CID 174359316
2-(ethenylamino)-N,N-diethylbenzamide
CID 10932915
CID 175798397
CID 175798397
2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
CID 102211121
ethyl 2-(2-methylanilino)pent-4-enoate
CID 132607090
N-but-3-en-2-yl-2-methylaniline
CID 14765790
2-methyl-N-[(1E,3E)-penta-1,3-dienyl]aniline
CID 156821299
3-(2-methylanilino)pent-4-enenitrile
CID 67325941
N,2-dimethylaniline
CID 163768915
2-(2-methylanilino)acetonitrile
CID 28018

Frequently Asked Questions

What is the IUPAC name of butane;N-ethenyl-2-methylaniline?
The IUPAC name of butane;N-ethenyl-2-methylaniline (CID 142042280) is butane;N-ethenyl-2-methylaniline.
What is the SMILES notation for butane;N-ethenyl-2-methylaniline?
The canonical SMILES for butane;N-ethenyl-2-methylaniline is C=CNc1ccccc1C.CCCC.
What is the InChIKey of butane;N-ethenyl-2-methylaniline?
The InChIKey is CZVOZORFGSSSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C4H10/c1-3-10-9-7-5-4-6-8(9)2;1-3-4-2/h3-7,10H,1H2,2H3;3-4H2,1-2H3.
What are the key properties of butane;N-ethenyl-2-methylaniline?
butane;N-ethenyl-2-methylaniline has a molecular weight of 191.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-ethenyl-2-methylaniline is sourced from PubChem (CID 142042280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).