N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

C14H23N5 — CID 158233694

IUPACN,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1=C(CC/N=C2/NC(N(C)C)=NC(C)N2)C=CC1
InChIInChI=1S/C14H23N5/c1-10-6-5-7-12(10)8-9-15-13-16-11(2)17-14(18-13)19(3)4/h5,7,11H,6,8-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyQGBASWFJRAHYSJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.47
Rot. Bonds3

About N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 158233694) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID158233694
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1=C(CC/N=C2/NC(N(C)C)=NC(C)N2)C=CC1
InChIInChI=1S/C14H23N5/c1-10-6-5-7-12(10)8-9-15-13-16-11(2)17-14(18-13)19(3)4/h5,7,11H,6,8-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyQGBASWFJRAHYSJ-UHFFFAOYSA-N
XLogP1.47
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 158233694) is N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1=C(CC/N=C2/NC(N(C)C)=NC(C)N2)C=CC1.
What is the InChIKey of N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is QGBASWFJRAHYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-6-5-7-12(10)8-9-15-13-16-11(2)17-14(18-13)19(3)4/h5,7,11H,6,8-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 158233694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).