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

C15H26N4O — CID 116781945

IUPAC4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOC1(c2nc(N)nc(C(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H26N4O/c1-10(2)11-17-12(19-13(16)18-11)15(20-5)8-6-14(3,4)7-9-15/h10H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyKOZAJNWYKBLGCG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.02
Rot. Bonds3

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

4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 116781945) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID116781945
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOC1(c2nc(N)nc(C(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H26N4O/c1-10(2)11-17-12(19-13(16)18-11)15(20-5)8-6-14(3,4)7-9-15/h10H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyKOZAJNWYKBLGCG-UHFFFAOYSA-N
XLogP3.02
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 116781945) is 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine is COC1(c2nc(N)nc(C(C)C)n2)CCC(C)(C)CC1.
What is the InChIKey of 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is KOZAJNWYKBLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)11-17-12(19-13(16)18-11)15(20-5)8-6-14(3,4)7-9-15/h10H,6-9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 116781945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).