1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride

C10H20ClN3O — CID 131107513

IUPAC1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1C2CCNCC1CC2.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-11-7-10(14)13-8-2-3-9(13)6-12-5-4-8;/h8-9,11-12H,2-7H2,1H3;1H
InChIKeySVGOLIIGJBXBJD-UHFFFAOYSA-N
MW233.74 g/mol
LogP-0.02
Rot. Bonds2

About 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride

1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 131107513) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride
PubChem CID131107513
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1C2CCNCC1CC2.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-11-7-10(14)13-8-2-3-9(13)6-12-5-4-8;/h8-9,11-12H,2-7H2,1H3;1H
InChIKeySVGOLIIGJBXBJD-UHFFFAOYSA-N
XLogP-0.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-pyridin-4-ylethanone;dihydrochloride
CID 154892081
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
CID 130763606
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(2-methylpyrazol-3-yl)propan-1-one;hydrochloride
CID 154900676
1-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 133132957
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 50975143
2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one
CID 128886391
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74237642
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 75595253
2-(methylamino)-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 121201228
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-phenylmethoxyethanone
CID 50976391

Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride (CID 131107513) is 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1C2CCNCC1CC2.Cl.
What is the InChIKey of 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is SVGOLIIGJBXBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-11-7-10(14)13-8-2-3-9(13)6-12-5-4-8;/h8-9,11-12H,2-7H2,1H3;1H.
What are the key properties of 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride?
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 131107513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).