2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride

C13H26ClN3O — CID 119927689

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)CN1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-10(2)7-14-13(17)9-16-6-5-11-3-4-12(8-16)15-11;/h10-12,15H,3-9H2,1-2H3,(H,14,17);1H
InChIKeyIXXXOVRTFMRSOV-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.01
Rot. Bonds4

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride (PubChem CID 119927689) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
PubChem CID119927689
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)CN1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-10(2)7-14-13(17)9-16-6-5-11-3-4-12(8-16)15-11;/h10-12,15H,3-9H2,1-2H3,(H,14,17);1H
InChIKeyIXXXOVRTFMRSOV-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 119927408
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
CID 81491039
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119927422
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride (CID 119927689) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride is CC(C)CNC(=O)CN1CCC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride?
The InChIKey is IXXXOVRTFMRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-10(2)7-14-13(17)9-16-6-5-11-3-4-12(8-16)15-11;/h10-12,15H,3-9H2,1-2H3,(H,14,17);1H.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119927689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).