methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate

C15H29N3O2 — CID 79174254

IUPACmethyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
SMILESCCNC(C)(CN1CCC2CCC(C1)N2C)C(=O)OC
InChIInChI=1S/C15H29N3O2/c1-5-16-15(2,14(19)20-4)11-18-9-8-12-6-7-13(10-18)17(12)3/h12-13,16H,5-11H2,1-4H3
InChIKeyOZTNUFUSCWETNW-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds5

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

methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate (PubChem CID 79174254) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
PubChem CID79174254
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
SMILESCCNC(C)(CN1CCC2CCC(C1)N2C)C(=O)OC
InChIInChI=1S/C15H29N3O2/c1-5-16-15(2,14(19)20-4)11-18-9-8-12-6-7-13(10-18)17(12)3/h12-13,16H,5-11H2,1-4H3
InChIKeyOZTNUFUSCWETNW-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate with MolForge

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Related Compounds

methyl 2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propylamino)propanoate
CID 79163895
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896
methyl 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropanoate
CID 55217174
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 103538112
methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66371565
2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)propanamide
CID 79175461
2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175533
methyl 2-amino-2-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanoate
CID 79163888
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62091812
methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 113418645
ethyl 2-amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79175280

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate (CID 79174254) is methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate is CCNC(C)(CN1CCC2CCC(C1)N2C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate?
The InChIKey is OZTNUFUSCWETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-16-15(2,14(19)20-4)11-18-9-8-12-6-7-13(10-18)17(12)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate?
methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate has a molecular weight of 283.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate is sourced from PubChem (CID 79174254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).