4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

C15H29N5O — CID 80819620

IUPAC4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NC(C)CCC(C)C)n1
InChIInChI=1S/C15H29N5O/c1-6-10-21-15-19-13(16-7-2)18-14(20-15)17-12(5)9-8-11(3)4/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyRDGLWXZAJUUTTA-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.33
Rot. Bonds10

About 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80819620) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80819620
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NC(C)CCC(C)C)n1
InChIInChI=1S/C15H29N5O/c1-6-10-21-15-19-13(16-7-2)18-14(20-15)17-12(5)9-8-11(3)4/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyRDGLWXZAJUUTTA-UHFFFAOYSA-N
XLogP3.33
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80819620) is 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(NC(C)CCC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is RDGLWXZAJUUTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-10-21-15-19-13(16-7-2)18-14(20-15)17-12(5)9-8-11(3)4/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).