N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine

C14H21N3O2 — CID 144600692

IUPACN-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine
SMILESCC1CC2(CCN(c3ccc(NOO)cn3)CC2)C1
InChIInChI=1S/C14H21N3O2/c1-11-8-14(9-11)4-6-17(7-5-14)13-3-2-12(10-15-13)16-19-18/h2-3,10-11,16,18H,4-9H2,1H3
InChIKeyJLRBCTVOAXKRGB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.91
Rot. Bonds3

About N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine

N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine (PubChem CID 144600692) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine
PubChem CID144600692
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine
SMILESCC1CC2(CCN(c3ccc(NOO)cn3)CC2)C1
InChIInChI=1S/C14H21N3O2/c1-11-8-14(9-11)4-6-17(7-5-14)13-3-2-12(10-15-13)16-19-18/h2-3,10-11,16,18H,4-9H2,1H3
InChIKeyJLRBCTVOAXKRGB-UHFFFAOYSA-N
XLogP2.91
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine
CID 144600690
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one
CID 144600657
N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 144600726
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
N-(3,3-dimethylcyclopentyl)-6-piperidin-1-ylpyridin-3-amine
CID 80705366
6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine
CID 123878669
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 84560742
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636

Frequently Asked Questions

What is the IUPAC name of N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine?
The IUPAC name of N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine (CID 144600692) is N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine.
What is the SMILES notation for N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine?
The canonical SMILES for N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine is CC1CC2(CCN(c3ccc(NOO)cn3)CC2)C1.
What is the InChIKey of N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine?
The InChIKey is JLRBCTVOAXKRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-8-14(9-11)4-6-17(7-5-14)13-3-2-12(10-15-13)16-19-18/h2-3,10-11,16,18H,4-9H2,1H3.
What are the key properties of N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine?
N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine is sourced from PubChem (CID 144600692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).