2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline

C12H18N2 — CID 169473623

IUPAC2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(C)cc(C)c1N
InChIInChI=1S/C12H18N2/c1-9-7-10(2)12(13)11(8-9)5-4-6-14-3/h4-5,7-8,14H,6,13H2,1-3H3
InChIKeyCEZZZXJFJQCCTL-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.12
Rot. Bonds3

About 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline

2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline (PubChem CID 169473623) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
PubChem CID169473623
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(C)cc(C)c1N
InChIInChI=1S/C12H18N2/c1-9-7-10(2)12(13)11(8-9)5-4-6-14-3/h4-5,7-8,14H,6,13H2,1-3H3
InChIKeyCEZZZXJFJQCCTL-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
CID 169461771
5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
CID 169473596
3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473325
6-methyl-5-[3-(methylamino)prop-1-enyl]pyridine-2,3-diamine
CID 169473705
2-[3-(4-aminoanilino)prop-1-enyl]-6-methylbenzene-1,4-diamine
CID 69341210
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
cobalt;2,4,6-trimethylaniline
CID 159454360
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473520
3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
CID 169474790
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline?
The IUPAC name of 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline (CID 169473623) is 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline.
What is the SMILES notation for 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline?
The canonical SMILES for 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline is CNCC=Cc1cc(C)cc(C)c1N.
What is the InChIKey of 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline?
The InChIKey is CEZZZXJFJQCCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-7-10(2)12(13)11(8-9)5-4-6-14-3/h4-5,7-8,14H,6,13H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline?
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline has a molecular weight of 190.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline is sourced from PubChem (CID 169473623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).