6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine

C11H16N4O2 — CID 130986774

IUPAC6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine
SMILESNc1ccc(N2CCC3(C2)OCCO3)nc1N
InChIInChI=1S/C11H16N4O2/c12-8-1-2-9(14-10(8)13)15-4-3-11(7-15)16-5-6-17-11/h1-2H,3-7,12H2,(H2,13,14)
InChIKeyFRKPTRORWFRXRC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.20
Rot. Bonds1

About 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine

6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine (PubChem CID 130986774) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine
PubChem CID130986774
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine
SMILESNc1ccc(N2CCC3(C2)OCCO3)nc1N
InChIInChI=1S/C11H16N4O2/c12-8-1-2-9(14-10(8)13)15-4-3-11(7-15)16-5-6-17-11/h1-2H,3-7,12H2,(H2,13,14)
InChIKeyFRKPTRORWFRXRC-UHFFFAOYSA-N
XLogP0.20
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoroaniline
CID 130985556
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine
CID 131057084
6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine
CID 79827353
7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130799617
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-2,3-diamine
CID 104957756
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-3-amine
CID 130792766
7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131025765
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid
CID 131195911
6-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]ethyl]piperazin-1-yl]pyridine-2,3-diamine
CID 57280318
6-[4-(dimethylamino)piperidin-1-yl]pyridine-2,3-diamine
CID 67292538
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
CID 144642147

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine?
The IUPAC name of 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine (CID 130986774) is 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine is Nc1ccc(N2CCC3(C2)OCCO3)nc1N.
What is the InChIKey of 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine?
The InChIKey is FRKPTRORWFRXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-8-1-2-9(14-10(8)13)15-4-3-11(7-15)16-5-6-17-11/h1-2H,3-7,12H2,(H2,13,14).
What are the key properties of 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine?
6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine has a molecular weight of 236.27 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine is sourced from PubChem (CID 130986774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).