2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone

C11H21N3O — CID 119900077

IUPAC2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
SMILESCCN1CCC2CCC(C1)N2C(=O)CN
InChIInChI=1S/C11H21N3O/c1-2-13-6-5-9-3-4-10(8-13)14(9)11(15)7-12/h9-10H,2-8,12H2,1H3
InChIKeyNUKYWWHKAQYZBZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds2

About 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone

2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone (PubChem CID 119900077) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
PubChem CID119900077
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
SMILESCCN1CCC2CCC(C1)N2C(=O)CN
InChIInChI=1S/C11H21N3O/c1-2-13-6-5-9-3-4-10(8-13)14(9)11(15)7-12/h9-10H,2-8,12H2,1H3
InChIKeyNUKYWWHKAQYZBZ-UHFFFAOYSA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-Methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79079206
2-Amino-3,3,3-trifluoro-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79812048
1-(3,9-Diazabicyclo[4.2.1]nonan-3-yl)-2,2,2-trifluoroethanone
CID 81482887
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81490970
2,2-Difluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 103515799
1-(3,9-Diazabicyclo[4.2.1]nonan-3-yl)-2,2-difluoroethanone
CID 103846083
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116153645
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119927637
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 121668877
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2,2,2-trifluoroethanone
CID 130792042
1-(3,9-Diazabicyclo[4.2.1]nonan-3-yl)ethan-1-one
CID 45086443
3,9-Diazabicyclo[4.2.1]nonane, 9-(1-oxopropyl)-
CID 45119410

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone?
The IUPAC name of 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone (CID 119900077) is 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone is CCN1CCC2CCC(C1)N2C(=O)CN.
What is the InChIKey of 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone?
The InChIKey is NUKYWWHKAQYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-13-6-5-9-3-4-10(8-13)14(9)11(15)7-12/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone?
2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone has a molecular weight of 211.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone is sourced from PubChem (CID 119900077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).