6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine

C12H20N4O — CID 114115082

IUPAC6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
SMILESCC(Nc1ccc(N)c(N)n1)C1CCOCC1
InChIInChI=1S/C12H20N4O/c1-8(9-4-6-17-7-5-9)15-11-3-2-10(13)12(14)16-11/h2-3,8-9H,4-7,13H2,1H3,(H3,14,15,16)
InChIKeyHTSCIBJMCYRCLP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.47
Rot. Bonds3

About 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine

6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine (PubChem CID 114115082) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
PubChem CID114115082
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
SMILESCC(Nc1ccc(N)c(N)n1)C1CCOCC1
InChIInChI=1S/C12H20N4O/c1-8(9-4-6-17-7-5-9)15-11-3-2-10(13)12(14)16-11/h2-3,8-9H,4-7,13H2,1H3,(H3,14,15,16)
InChIKeyHTSCIBJMCYRCLP-UHFFFAOYSA-N
XLogP1.47
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043538
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
CID 114115332
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
4-bromo-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 89287580
6-N-butan-2-ylpyridine-2,3,6-triamine
CID 79822121
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
6-N-morpholin-4-ylpyridine-2,3,6-triamine
CID 83003580

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine (CID 114115082) is 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine is CC(Nc1ccc(N)c(N)n1)C1CCOCC1.
What is the InChIKey of 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is HTSCIBJMCYRCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(9-4-6-17-7-5-9)15-11-3-2-10(13)12(14)16-11/h2-3,8-9H,4-7,13H2,1H3,(H3,14,15,16).
What are the key properties of 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine?
6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 236.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 114115082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).