2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

C14H27N3O — CID 79170525

IUPAC2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H27N3O/c1-5-15-14(2,3)13(18)17-9-8-11-6-7-12(10-17)16(11)4/h11-12,15H,5-10H2,1-4H3
InChIKeyOINQRAHTHXZKBM-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (PubChem CID 79170525) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
PubChem CID79170525
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H27N3O/c1-5-15-14(2,3)13(18)17-9-8-11-6-7-12(10-17)16(11)4/h11-12,15H,5-10H2,1-4H3
InChIKeyOINQRAHTHXZKBM-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
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
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81490970
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-(Azocan-1-yl)-2-[3-(dimethylamino)propylamino]propan-1-one
CID 3229667
1-{2-[rel-(1S,6R)-3,9-diazabicyclo[4.2.1]non-3-yl]-2-oxoethyl}-2-pyrrolidinone hydrochloride
CID 50963749
1-{2-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-9-yl]-2-oxoethyl}azepan-2-one
CID 50984780
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)propanamide
CID 20813690
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-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The IUPAC name of 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (CID 79170525) is 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The canonical SMILES for 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is CCNC(C)(C)C(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The InChIKey is OINQRAHTHXZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-15-14(2,3)13(18)17-9-8-11-6-7-12(10-17)16(11)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 79170525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).