2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine

C16H28N4O — CID 61239615

IUPAC2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCN2CCCCCC2)ccc1N
InChIInChI=1S/C16H28N4O/c1-2-13-21-16-14(17)7-8-15(19-16)18-9-12-20-10-5-3-4-6-11-20/h7-8H,2-6,9-13,17H2,1H3,(H,18,19)
InChIKeyAUOBUYLIZDFSIF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.74
Rot. Bonds7

About 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine

2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine (PubChem CID 61239615) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
PubChem CID61239615
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCN2CCCCCC2)ccc1N
InChIInChI=1S/C16H28N4O/c1-2-13-21-16-14(17)7-8-15(19-16)18-9-12-20-10-5-3-4-6-11-20/h7-8H,2-6,9-13,17H2,1H3,(H,18,19)
InChIKeyAUOBUYLIZDFSIF-UHFFFAOYSA-N
XLogP2.74
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 106324765
2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
CID 43261055
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine
CID 63406207
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
CID 106394409
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 43261157

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine (CID 61239615) is 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCCN2CCCCCC2)ccc1N.
What is the InChIKey of 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine?
The InChIKey is AUOBUYLIZDFSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-13-21-16-14(17)7-8-15(19-16)18-9-12-20-10-5-3-4-6-11-20/h7-8H,2-6,9-13,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine?
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 61239615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).