N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline

C14H22N2 — CID 105163326

IUPACN,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
SMILESCNC(C=C(C)C)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N2/c1-11(2)9-14(15-3)12-7-6-8-13(10-12)16(4)5/h6-10,14-15H,1-5H3
InChIKeyLFMMDDPHYVMHMD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline

N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline (PubChem CID 105163326) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
PubChem CID105163326
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
SMILESCNC(C=C(C)C)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N2/c1-11(2)9-14(15-3)12-7-6-8-13(10-12)16(4)5/h6-10,14-15H,1-5H3
InChIKeyLFMMDDPHYVMHMD-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004605
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline (CID 105163326) is N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline is CNC(C=C(C)C)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline?
The InChIKey is LFMMDDPHYVMHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)9-14(15-3)12-7-6-8-13(10-12)16(4)5/h6-10,14-15H,1-5H3.
What are the key properties of N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline?
N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline is sourced from PubChem (CID 105163326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).