2-(1-aminoprop-2-enyl)-4,6-dimethylaniline

C11H16N2 — CID 55282340

IUPAC2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
SMILESC=CC(N)c1cc(C)cc(C)c1N
InChIInChI=1S/C11H16N2/c1-4-10(12)9-6-7(2)5-8(3)11(9)13/h4-6,10H,1,12-13H2,2-3H3
InChIKeyBCJNIRBEKUSVBY-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.07
Rot. Bonds2

About 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline

2-(1-aminoprop-2-enyl)-4,6-dimethylaniline (PubChem CID 55282340) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline.

Molecular Properties

Compound Name2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
PubChem CID55282340
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
SMILESC=CC(N)c1cc(C)cc(C)c1N
InChIInChI=1S/C11H16N2/c1-4-10(12)9-6-7(2)5-8(3)11(9)13/h4-6,10H,1,12-13H2,2-3H3
InChIKeyBCJNIRBEKUSVBY-UHFFFAOYSA-N
XLogP2.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
cobalt;2,4,6-trimethylaniline
CID 159454360
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
4-(1-aminoprop-2-enyl)-3-methylaniline
CID 55283470
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253734
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
3-[(1S)-1-aminoprop-2-enyl]-2-hydroxy-5-methylbenzaldehyde
CID 87406046
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
CID 130612517
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol
CID 171481741
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline?
The IUPAC name of 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline (CID 55282340) is 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline.
What is the SMILES notation for 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline?
The canonical SMILES for 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline is C=CC(N)c1cc(C)cc(C)c1N.
What is the InChIKey of 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline?
The InChIKey is BCJNIRBEKUSVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10(12)9-6-7(2)5-8(3)11(9)13/h4-6,10H,1,12-13H2,2-3H3.
What are the key properties of 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline?
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoprop-2-enyl)-4,6-dimethylaniline is sourced from PubChem (CID 55282340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).