(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H20N2O2 — CID 106314010

IUPAC(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)C2(N)CCOCC2)C1
InChIInChI=1S/C12H20N2O2/c1-10-3-2-6-14(9-10)11(15)12(13)4-7-16-8-5-12/h3H,2,4-9,13H2,1H3
InChIKeyULKQBNAQXMZIKB-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.67
Rot. Bonds1

About (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106314010) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106314010
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)C2(N)CCOCC2)C1
InChIInChI=1S/C12H20N2O2/c1-10-3-2-6-14(9-10)11(15)12(13)4-7-16-8-5-12/h3H,2,4-9,13H2,1H3
InChIKeyULKQBNAQXMZIKB-UHFFFAOYSA-N
XLogP0.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Related Compounds

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 106313796
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
(4-aminooxan-4-yl)-piperazin-1-ylmethanone
CID 115293706
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115294360
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 115294193
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111
4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 106314057

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106314010) is (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)C2(N)CCOCC2)C1.
What is the InChIKey of (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is ULKQBNAQXMZIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-3-2-6-14(9-10)11(15)12(13)4-7-16-8-5-12/h3H,2,4-9,13H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106314010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).