N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline

C15H16N4 — CID 88633846

IUPACN,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline
SMILESC=CC=C(c1ccc(N(C)C)cc1)c1ncncn1
InChIInChI=1S/C15H16N4/c1-4-5-14(15-17-10-16-11-18-15)12-6-8-13(9-7-12)19(2)3/h4-11H,1H2,2-3H3
InChIKeyKDTKPSZEBNPGJB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds4

About N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline

N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline (PubChem CID 88633846) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline
PubChem CID88633846
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline
SMILESC=CC=C(c1ccc(N(C)C)cc1)c1ncncn1
InChIInChI=1S/C15H16N4/c1-4-5-14(15-17-10-16-11-18-15)12-6-8-13(9-7-12)19(2)3/h4-11H,1H2,2-3H3
InChIKeyKDTKPSZEBNPGJB-UHFFFAOYSA-N
XLogP2.56
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline (CID 88633846) is N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline is C=CC=C(c1ccc(N(C)C)cc1)c1ncncn1.
What is the InChIKey of N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline?
The InChIKey is KDTKPSZEBNPGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-4-5-14(15-17-10-16-11-18-15)12-6-8-13(9-7-12)19(2)3/h4-11H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline?
N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline has a molecular weight of 252.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(1,3,5-triazin-2-yl)buta-1,3-dienyl]aniline is sourced from PubChem (CID 88633846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).