4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C14H24N6 — CID 80785782

IUPAC4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(N(C)C)n1)C1CC2CCC1C2
InChIInChI=1S/C14H24N6/c1-8(11-7-9-4-5-10(11)6-9)16-13-17-12(15)18-14(19-13)20(2)3/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18,19)
InChIKeySMWXGCHYAUHSLS-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.76
Rot. Bonds4

About 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80785782) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80785782
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(N(C)C)n1)C1CC2CCC1C2
InChIInChI=1S/C14H24N6/c1-8(11-7-9-4-5-10(11)6-9)16-13-17-12(15)18-14(19-13)20(2)3/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18,19)
InChIKeySMWXGCHYAUHSLS-UHFFFAOYSA-N
XLogP1.76
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80772094
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
CID 43115419
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,1,3-benzoxadiazole-4,7-diamine
CID 43518470
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 129428929
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80774808
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromopyridine-3,4-diamine
CID 103517553
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43261074

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80785782) is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(N(C)C)n1)C1CC2CCC1C2.
What is the InChIKey of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SMWXGCHYAUHSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-8(11-7-9-4-5-10(11)6-9)16-13-17-12(15)18-14(19-13)20(2)3/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 276.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80785782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).