N-but-1-en-2-yl-3,4-dimethylaniline

C12H17N — CID 142248146

IUPACN-but-1-en-2-yl-3,4-dimethylaniline
SMILESC=C(CC)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H17N/c1-5-11(4)13-12-7-6-9(2)10(3)8-12/h6-8,13H,4-5H2,1-3H3
InChIKeyHIIOVLMABKORLP-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.64
Rot. Bonds3

About N-but-1-en-2-yl-3,4-dimethylaniline

N-but-1-en-2-yl-3,4-dimethylaniline (PubChem CID 142248146) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-but-1-en-2-yl-3,4-dimethylaniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-3,4-dimethylaniline
PubChem CID142248146
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-but-1-en-2-yl-3,4-dimethylaniline
SMILESC=C(CC)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H17N/c1-5-11(4)13-12-7-6-9(2)10(3)8-12/h6-8,13H,4-5H2,1-3H3
InChIKeyHIIOVLMABKORLP-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153
3-(3,4-dimethylanilino)-1-(4-methylphenyl)but-3-en-1-one
CID 2290990
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 144808255
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
4-bromo-3-methyl-N-(1-phosphanylethenyl)aniline
CID 142845497
N-[(3E,5E)-5-[(E)-1-ethylsulfanylprop-1-en-2-yl]hepta-1,3,5-trien-2-yl]-3,4-dimethylaniline
CID 144520211
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
CID 102561459
3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
CID 167073155

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-3,4-dimethylaniline?
The IUPAC name of N-but-1-en-2-yl-3,4-dimethylaniline (CID 142248146) is N-but-1-en-2-yl-3,4-dimethylaniline.
What is the SMILES notation for N-but-1-en-2-yl-3,4-dimethylaniline?
The canonical SMILES for N-but-1-en-2-yl-3,4-dimethylaniline is C=C(CC)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-but-1-en-2-yl-3,4-dimethylaniline?
The InChIKey is HIIOVLMABKORLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-5-11(4)13-12-7-6-9(2)10(3)8-12/h6-8,13H,4-5H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-3,4-dimethylaniline?
N-but-1-en-2-yl-3,4-dimethylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-3,4-dimethylaniline is sourced from PubChem (CID 142248146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).