1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone

C15H26N2O — CID 114196416

IUPAC1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone
SMILESO=C(CNC1CCCC1)N1CC2CCCC(C2)C1
InChIInChI=1S/C15H26N2O/c18-15(9-16-14-6-1-2-7-14)17-10-12-4-3-5-13(8-12)11-17/h12-14,16H,1-11H2
InChIKeySPCWLYCMLJCUFJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds3

About 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone

1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone (PubChem CID 114196416) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone.

Molecular Properties

Compound Name1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone
PubChem CID114196416
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone
SMILESO=C(CNC1CCCC1)N1CC2CCCC(C2)C1
InChIInChI=1S/C15H26N2O/c18-15(9-16-14-6-1-2-7-14)17-10-12-4-3-5-13(8-12)11-17/h12-14,16H,1-11H2
InChIKeySPCWLYCMLJCUFJ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 107220351
[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
CID 131915772
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
CID 108993560
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
2-(cyclopentylamino)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957365
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone?
The IUPAC name of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone (CID 114196416) is 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone.
What is the SMILES notation for 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone?
The canonical SMILES for 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone is O=C(CNC1CCCC1)N1CC2CCCC(C2)C1.
What is the InChIKey of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone?
The InChIKey is SPCWLYCMLJCUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(9-16-14-6-1-2-7-14)17-10-12-4-3-5-13(8-12)11-17/h12-14,16H,1-11H2.
What are the key properties of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone?
1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone has a molecular weight of 250.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone is sourced from PubChem (CID 114196416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).