2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H29N5O — CID 80773091

IUPAC2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCCC)nc(N(CC)C(C)CC)n1
InChIInChI=1S/C15H29N5O/c1-6-10-16-13-17-14(20(9-4)12(5)8-3)19-15(18-13)21-11-7-2/h12H,6-11H2,1-5H3,(H,16,17,18,19)
InChIKeyFOJYOOLVRVUEAX-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.11
Rot. Bonds10

About 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80773091) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80773091
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCCC)nc(N(CC)C(C)CC)n1
InChIInChI=1S/C15H29N5O/c1-6-10-16-13-17-14(20(9-4)12(5)8-3)19-15(18-13)21-11-7-2/h12H,6-11H2,1-5H3,(H,16,17,18,19)
InChIKeyFOJYOOLVRVUEAX-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80787122
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887530
2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835269
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
6-ethoxy-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80808604
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80773091) is 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OCCC)nc(N(CC)C(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FOJYOOLVRVUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-10-16-13-17-14(20(9-4)12(5)8-3)19-15(18-13)21-11-7-2/h12H,6-11H2,1-5H3,(H,16,17,18,19).
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).