4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine

C12H20N4 — CID 63868071

IUPAC4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C12H20N4/c1-2-10-14-11(16-12(13)15-10)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyDSXYKTGIRGYTSY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds2

About 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine

4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 63868071) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine
PubChem CID63868071
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C12H20N4/c1-2-10-14-11(16-12(13)15-10)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyDSXYKTGIRGYTSY-UHFFFAOYSA-N
XLogP2.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Undecyl-1,3,5-triazine-2,4-diamine
CID 75673
6-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-Dodecyl-1,3,5-triazine-2,4-diamine
CID 3778626
4-Cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959
4,6-Didodecyl-1,3,5-triazin-2-amine
CID 15255084
4,6-Dicyclohexyl-1,3,5-triazin-2-amine
CID 15407131
6-(Cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
CID 18366366
6-(3-Methylbutyl)-1,3,5-triazine-2,4-diamine
CID 20330725

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine (CID 63868071) is 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is DSXYKTGIRGYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-10-14-11(16-12(13)15-10)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine?
4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).