4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine

C16H27N5O — CID 831355

IUPAC4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H27N5O/c1-22-16-19-14(17-13-9-5-4-6-10-13)18-15(20-16)21-11-7-2-3-8-12-21/h13H,2-12H2,1H3,(H,17,18,19,20)
InChIKeyPUMKUBDFETUMHR-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.01
Rot. Bonds4

About 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine

4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 831355) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID831355
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H27N5O/c1-22-16-19-14(17-13-9-5-4-6-10-13)18-15(20-16)21-11-7-2-3-8-12-21/h13H,2-12H2,1H3,(H,17,18,19,20)
InChIKeyPUMKUBDFETUMHR-UHFFFAOYSA-N
XLogP3.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine (CID 831355) is 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NC2CCCCC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is PUMKUBDFETUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-22-16-19-14(17-13-9-5-4-6-10-13)18-15(20-16)21-11-7-2-3-8-12-21/h13H,2-12H2,1H3,(H,17,18,19,20).
What are the key properties of 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 305.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 831355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).