N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium

C14H17N3O — CID 160520836

IUPACN-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium
SMILES[O-][n+]1ccccc1.c1ccc(NC2CCC2)nc1
InChIInChI=1S/C9H12N2.C5H5NO/c1-2-7-10-9(6-1)11-8-4-3-5-8;7-6-4-2-1-3-5-6/h1-2,6-8H,3-5H2,(H,10,11);1-5H
InChIKeyQUFZRJGQYRPERN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds2

About N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium

N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium (PubChem CID 160520836) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium.

Molecular Properties

Compound NameN-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium
PubChem CID160520836
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium
SMILES[O-][n+]1ccccc1.c1ccc(NC2CCC2)nc1
InChIInChI=1S/C9H12N2.C5H5NO/c1-2-7-10-9(6-1)11-8-4-3-5-8;7-6-4-2-1-3-5-6/h1-2,6-8H,3-5H2,(H,10,11);1-5H
InChIKeyQUFZRJGQYRPERN-UHFFFAOYSA-N
XLogP2.37
TPSA51.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
N-(thian-4-yl)pyridin-2-amine
CID 68572241
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CID 174544706
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
N-piperidin-3-ylpyridin-2-amine
CID 63321128
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
N-(3-fluorocyclopentyl)pyridin-2-amine
CID 126993545
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridin-2-amine
CID 94392451
3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
CID 134069519
6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
CID 58936101
N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705

Frequently Asked Questions

What is the IUPAC name of N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium?
The IUPAC name of N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium (CID 160520836) is N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium.
What is the SMILES notation for N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium?
The canonical SMILES for N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium is [O-][n+]1ccccc1.c1ccc(NC2CCC2)nc1.
What is the InChIKey of N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium?
The InChIKey is QUFZRJGQYRPERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C5H5NO/c1-2-7-10-9(6-1)11-8-4-3-5-8;7-6-4-2-1-3-5-6/h1-2,6-8H,3-5H2,(H,10,11);1-5H.
What are the key properties of N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium?
N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium has a molecular weight of 243.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium is sourced from PubChem (CID 160520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).