4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C11H19N5 — CID 21027228

IUPAC4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCN(C)C1=NC(C2CC=CCC2)N=C(N)N1
InChIInChI=1S/C11H19N5/c1-16(2)11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-4,8-9H,5-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyLXFNWKIDKPQLDS-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.50
Rot. Bonds1

About 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 21027228) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID21027228
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCN(C)C1=NC(C2CC=CCC2)N=C(N)N1
InChIInChI=1S/C11H19N5/c1-16(2)11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-4,8-9H,5-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyLXFNWKIDKPQLDS-UHFFFAOYSA-N
XLogP0.50
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Related Compounds

2-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 99846005
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
2-(Cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine
CID 21442515
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine;hydroiodide
CID 75493990
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
CID 75493991
2-(Cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 86777332
2-(Cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine
CID 86777333
2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 99846006
1-Tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine
CID 119116171
1-(Cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine
CID 119116302
2-(Cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 119116303
2-(Cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine
CID 119116304

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 21027228) is 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CN(C)C1=NC(C2CC=CCC2)N=C(N)N1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is LXFNWKIDKPQLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16(2)11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-4,8-9H,5-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 21027228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).