N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C9H17N5 — CID 135626028

IUPACN,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=CC/N=C1/NC(N(C)C)=NC(C)N1
InChIInChI=1S/C9H17N5/c1-5-6-10-8-11-7(2)12-9(13-8)14(3)4/h5,7H,1,6H2,2-4H3,(H2,10,11,12,13)
InChIKeyFHBXTHYQUQBCAQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.02
Rot. Bonds2

About N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 135626028) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID135626028
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=CC/N=C1/NC(N(C)C)=NC(C)N1
InChIInChI=1S/C9H17N5/c1-5-6-10-8-11-7(2)12-9(13-8)14(3)4/h5,7H,1,6H2,2-4H3,(H2,10,11,12,13)
InChIKeyFHBXTHYQUQBCAQ-UHFFFAOYSA-N
XLogP-0.02
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Related Compounds

1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine
CID 176530661
2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
1-Ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 136926181
2,6-bis(prop-2-enylamino)-1H-1,3,5-triazine-4-thione
CID 3032480
2-(diethylamino)-6-(prop-2-enylamino)-1H-1,3,5-triazine-4-thione
CID 17841721
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
CID 19871397
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
N,N'-bis(allyl)-N"-cyanoguanidine
CID 54000790

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 135626028) is N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C=CC/N=C1/NC(N(C)C)=NC(C)N1.
What is the InChIKey of N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is FHBXTHYQUQBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-5-6-10-8-11-7(2)12-9(13-8)14(3)4/h5,7H,1,6H2,2-4H3,(H2,10,11,12,13).
What are the key properties of N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 195.27 g/mol, XLogP of -0.02, 2 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-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 135626028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).