N-but-1-en-2-yl-3-ethyl-4-methylaniline

C13H19N — CID 155049153

IUPACN-but-1-en-2-yl-3-ethyl-4-methylaniline
SMILESC=C(CC)Nc1ccc(C)c(CC)c1
InChIInChI=1S/C13H19N/c1-5-11(4)14-13-8-7-10(3)12(6-2)9-13/h7-9,14H,4-6H2,1-3H3
InChIKeyMGDPHKDDSCQMDL-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.89
Rot. Bonds4

About N-but-1-en-2-yl-3-ethyl-4-methylaniline

N-but-1-en-2-yl-3-ethyl-4-methylaniline (PubChem CID 155049153) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-but-1-en-2-yl-3-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-3-ethyl-4-methylaniline
PubChem CID155049153
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-but-1-en-2-yl-3-ethyl-4-methylaniline
SMILESC=C(CC)Nc1ccc(C)c(CC)c1
InChIInChI=1S/C13H19N/c1-5-11(4)14-13-8-7-10(3)12(6-2)9-13/h7-9,14H,4-6H2,1-3H3
InChIKeyMGDPHKDDSCQMDL-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-but-1-en-2-yl-3,4-dimethylaniline
CID 142248146
1-butyl-3-(3-ethyl-4-methylphenyl)urea
CID 113356321
2-ethyl-1-methyl-4-(sulfinoamino)benzene
CID 156579229
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010
2-[(3-ethyl-4-methylphenyl)carbamoylamino]oxyacetic acid
CID 114250438
N-(3-ethyl-4-methylphenyl)-2-(furan-3-yl)acetamide
CID 136532473
2-ethyl-1-methyl-4-(sulfinatoamino)benzene
CID 156579228
N-but-1-en-2-yl-4-propylaniline
CID 142064783
3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
CID 167073155
1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen
CID 155694055
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-3-ethyl-4-methylaniline?
The IUPAC name of N-but-1-en-2-yl-3-ethyl-4-methylaniline (CID 155049153) is N-but-1-en-2-yl-3-ethyl-4-methylaniline.
What is the SMILES notation for N-but-1-en-2-yl-3-ethyl-4-methylaniline?
The canonical SMILES for N-but-1-en-2-yl-3-ethyl-4-methylaniline is C=C(CC)Nc1ccc(C)c(CC)c1.
What is the InChIKey of N-but-1-en-2-yl-3-ethyl-4-methylaniline?
The InChIKey is MGDPHKDDSCQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-11(4)14-13-8-7-10(3)12(6-2)9-13/h7-9,14H,4-6H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-3-ethyl-4-methylaniline?
N-but-1-en-2-yl-3-ethyl-4-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.89, 4 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-ethyl-4-methylaniline is sourced from PubChem (CID 155049153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).