4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine

C15H27N5O — CID 80750532

IUPAC4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCCC)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-9-16-13-17-14(19-15(18-13)21-12-4-2)20-10-7-5-6-8-11-20/h3-12H2,1-2H3,(H,16,17,18,19)
InChIKeyYPCOVVLEIGTULH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds7

About 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80750532) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80750532
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCCC)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-9-16-13-17-14(19-15(18-13)21-12-4-2)20-10-7-5-6-8-11-20/h3-12H2,1-2H3,(H,16,17,18,19)
InChIKeyYPCOVVLEIGTULH-UHFFFAOYSA-N
XLogP2.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795533
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80879166
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine (CID 80750532) is 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCCC)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YPCOVVLEIGTULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-9-16-13-17-14(19-15(18-13)21-12-4-2)20-10-7-5-6-8-11-20/h3-12H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80750532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).