2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 80823322

IUPAC2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCC(C)(C)CC2)nc(OCC)n1
InChIInChI=1S/C15H27N5O/c1-5-16-12-18-13(20-14(19-12)21-6-2)17-11-7-9-15(3,4)10-8-11/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyQPVFTBQUBVSBHG-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.08
Rot. Bonds6

About 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80823322) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80823322
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCC(C)(C)CC2)nc(OCC)n1
InChIInChI=1S/C15H27N5O/c1-5-16-12-18-13(20-14(19-12)21-6-2)17-11-7-9-15(3,4)10-8-11/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyQPVFTBQUBVSBHG-UHFFFAOYSA-N
XLogP3.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80837854
2-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822946
6-ethoxy-4-N-ethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 80798193
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
2-N-(1,3-dimethylpiperidin-4-yl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 114506403
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823002
4-(3,5-dimethylcyclohexyl)oxy-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80871614
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80823322) is 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCC(C)(C)CC2)nc(OCC)n1.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QPVFTBQUBVSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-16-12-18-13(20-14(19-12)21-6-2)17-11-7-9-15(3,4)10-8-11/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80823322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).