2-(3-azidoprop-1-enyl)-4,6-dimethylaniline

C11H14N4 — CID 169461771

IUPAC2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(C=CCN=[N+]=[N-])c1
InChIInChI=1S/C11H14N4/c1-8-6-9(2)11(12)10(7-8)4-3-5-14-15-13/h3-4,6-7H,5,12H2,1-2H3
InChIKeyCGOHJBOACWRGLQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline

2-(3-azidoprop-1-enyl)-4,6-dimethylaniline (PubChem CID 169461771) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
PubChem CID169461771
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(C=CCN=[N+]=[N-])c1
InChIInChI=1S/C11H14N4/c1-8-6-9(2)11(12)10(7-8)4-3-5-14-15-13/h3-4,6-7H,5,12H2,1-2H3
InChIKeyCGOHJBOACWRGLQ-UHFFFAOYSA-N
XLogP3.21
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
CID 169462309
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473623
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
CID 169462312
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
2-(3-azidoprop-1-enyl)-1-methyl-4-(trifluoromethyl)benzene
CID 169462191
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline?
The IUPAC name of 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline (CID 169461771) is 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline is Cc1cc(C)c(N)c(C=CCN=[N+]=[N-])c1.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline?
The InChIKey is CGOHJBOACWRGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-6-9(2)11(12)10(7-8)4-3-5-14-15-13/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline?
2-(3-azidoprop-1-enyl)-4,6-dimethylaniline has a molecular weight of 202.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-4,6-dimethylaniline is sourced from PubChem (CID 169461771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).