2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C15H29N5O — CID 80835269

IUPAC2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(CC)CC(C)CC)n1
InChIInChI=1S/C15H29N5O/c1-6-10-21-15-18-13(16-8-3)17-14(19-15)20(9-4)11-12(5)7-2/h12H,6-11H2,1-5H3,(H,16,17,18,19)
InChIKeyQFGOOMYXNIBDIC-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.96
Rot. Bonds10

About 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80835269) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80835269
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(CC)CC(C)CC)n1
InChIInChI=1S/C15H29N5O/c1-6-10-21-15-18-13(16-8-3)17-14(19-15)20(9-4)11-12(5)7-2/h12H,6-11H2,1-5H3,(H,16,17,18,19)
InChIKeyQFGOOMYXNIBDIC-UHFFFAOYSA-N
XLogP2.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80930026
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80850266
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773091
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 106795461

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80835269) is 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(N(CC)CC(C)CC)n1.
What is the InChIKey of 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is QFGOOMYXNIBDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-10-21-15-18-13(16-8-3)17-14(19-15)20(9-4)11-12(5)7-2/h12H,6-11H2,1-5H3,(H,16,17,18,19).
What are the key properties of 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80835269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).