6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine

C11H18N4O — CID 79827367

IUPAC6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCCC2CCCO2)nc1N
InChIInChI=1S/C11H18N4O/c12-9-3-4-10(15-11(9)13)14-6-5-8-2-1-7-16-8/h3-4,8H,1-2,5-7,12H2,(H3,13,14,15)
InChIKeyAYPUKOUXEJNGAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.23
Rot. Bonds4

About 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine

6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine (PubChem CID 79827367) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
PubChem CID79827367
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCCC2CCCO2)nc1N
InChIInChI=1S/C11H18N4O/c12-9-3-4-10(15-11(9)13)14-6-5-8-2-1-7-16-8/h3-4,8H,1-2,5-7,12H2,(H3,13,14,15)
InChIKeyAYPUKOUXEJNGAZ-UHFFFAOYSA-N
XLogP1.23
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
6-methoxy-2-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3-diamine
CID 115320635
6-methoxy-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 63589868
2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80962139
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine (CID 79827367) is 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine is Nc1ccc(NCCC2CCCO2)nc1N.
What is the InChIKey of 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is AYPUKOUXEJNGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-3-4-10(15-11(9)13)14-6-5-8-2-1-7-16-8/h3-4,8H,1-2,5-7,12H2,(H3,13,14,15).
What are the key properties of 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine?
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 222.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79827367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).