4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C15H26N4O — CID 116781933

IUPAC4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCOC1(c2nc(N)nc(C(C)C)n2)CCCCCC1
InChIInChI=1S/C15H26N4O/c1-4-20-15(9-7-5-6-8-10-15)13-17-12(11(2)3)18-14(16)19-13/h11H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMYWOGBHCSTUSEZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.16
Rot. Bonds4

About 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 116781933) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID116781933
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCOC1(c2nc(N)nc(C(C)C)n2)CCCCCC1
InChIInChI=1S/C15H26N4O/c1-4-20-15(9-7-5-6-8-10-15)13-17-12(11(2)3)18-14(16)19-13/h11H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMYWOGBHCSTUSEZ-UHFFFAOYSA-N
XLogP3.16
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
CID 116781962
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781945
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
CID 116776273
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 116781933) is 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CCOC1(c2nc(N)nc(C(C)C)n2)CCCCCC1.
What is the InChIKey of 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is MYWOGBHCSTUSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-20-15(9-7-5-6-8-10-15)13-17-12(11(2)3)18-14(16)19-13/h11H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 116781933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).