4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C15H25N5O — CID 82751850

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H25N5O/c1-3-10-21-15-18-13(16-2)17-14(19-15)20-9-8-11-6-4-5-7-12(11)20/h11-12H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyVPOAEZICYJWKIR-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.47
Rot. Bonds5

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 82751850) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID82751850
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H25N5O/c1-3-10-21-15-18-13(16-2)17-14(19-15)20-9-8-11-6-4-5-7-12(11)20/h11-12H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyVPOAEZICYJWKIR-UHFFFAOYSA-N
XLogP2.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555
3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80801771
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80790608
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80900110
4-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80828072
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
6-(2-cyclopentylpyrrolidin-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80792754

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 82751850) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(N2CCC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is VPOAEZICYJWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-10-21-15-18-13(16-2)17-14(19-15)20-9-8-11-6-4-5-7-12(11)20/h11-12H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82751850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).