4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine

C12H21N5 — CID 123635075

IUPAC4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine
SMILESC=CC1(C)N=C(N(C)C)NC(N2CCCC2)=N1
InChIInChI=1S/C12H21N5/c1-5-12(2)14-10(16(3)4)13-11(15-12)17-8-6-7-9-17/h5H,1,6-9H2,2-4H3,(H,13,14,15)
InChIKeyDMMDISSICQVACQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.86
Rot. Bonds1

About 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine

4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine (PubChem CID 123635075) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine
PubChem CID123635075
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine
SMILESC=CC1(C)N=C(N(C)C)NC(N2CCCC2)=N1
InChIInChI=1S/C12H21N5/c1-5-12(2)14-10(16(3)4)13-11(15-12)17-8-6-7-9-17/h5H,1,6-9H2,2-4H3,(H,13,14,15)
InChIKeyDMMDISSICQVACQ-UHFFFAOYSA-N
XLogP0.86
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
CID 154022292
4-Methyl-2-pyrrolidin-1-yl-1,4-dihydropyrimidin-6-amine
CID 86341390
1,2-Dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 109496115
2-Methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110980496
2-Methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110980497
2-Methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 110982649
1-Ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 136925521
1-Ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 136925522
1-Ethyl-3-prop-2-enyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 136926002

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine (CID 123635075) is 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine is C=CC1(C)N=C(N(C)C)NC(N2CCCC2)=N1.
What is the InChIKey of 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine?
The InChIKey is DMMDISSICQVACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-5-12(2)14-10(16(3)4)13-11(15-12)17-8-6-7-9-17/h5H,1,6-9H2,2-4H3,(H,13,14,15).
What are the key properties of 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine?
4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-1H-1,3,5-triazin-2-amine is sourced from PubChem (CID 123635075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).