N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline

C14H17N3 — CID 129131695

IUPACN,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1cncn1C
InChIInChI=1S/C14H17N3/c1-11(14-9-15-10-17(14)4)12-5-7-13(8-6-12)16(2)3/h5-10H,1H2,2-4H3
InChIKeyDVJBRFCIFQUMQU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.55
Rot. Bonds3

About N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline

N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline (PubChem CID 129131695) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline
PubChem CID129131695
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1cncn1C
InChIInChI=1S/C14H17N3/c1-11(14-9-15-10-17(14)4)12-5-7-13(8-6-12)16(2)3/h5-10H,1H2,2-4H3
InChIKeyDVJBRFCIFQUMQU-UHFFFAOYSA-N
XLogP2.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline (CID 129131695) is N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline is C=C(c1ccc(N(C)C)cc1)c1cncn1C.
What is the InChIKey of N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline?
The InChIKey is DVJBRFCIFQUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11(14-9-15-10-17(14)4)12-5-7-13(8-6-12)16(2)3/h5-10H,1H2,2-4H3.
What are the key properties of N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline?
N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline is sourced from PubChem (CID 129131695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).