2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide

C16H31N3O — CID 106275148

IUPAC2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
SMILESCC(C)N1CC2CCCC(C1)C2NCC(C)(C)C(N)=O
InChIInChI=1S/C16H31N3O/c1-11(2)19-8-12-6-5-7-13(9-19)14(12)18-10-16(3,4)15(17)20/h11-14,18H,5-10H2,1-4H3,(H2,17,20)
InChIKeyOBWVWQXQUSDTII-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds5

About 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide

2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide (PubChem CID 106275148) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
PubChem CID106275148
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
SMILESCC(C)N1CC2CCCC(C1)C2NCC(C)(C)C(N)=O
InChIInChI=1S/C16H31N3O/c1-11(2)19-8-12-6-5-7-13(9-19)14(12)18-10-16(3,4)15(17)20/h11-14,18H,5-10H2,1-4H3,(H2,17,20)
InChIKeyOBWVWQXQUSDTII-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide with MolForge

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Related Compounds

2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol
CID 106245965
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanoic acid
CID 54960108
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 107316719
3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 106123834
2,2-dimethyl-3-[[3-(2-methylpropyl)cyclohexyl]amino]propanamide
CID 114078633
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
CID 106274781
2,2-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanamide
CID 106275991
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide (CID 106275148) is 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide is CC(C)N1CC2CCCC(C1)C2NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
The InChIKey is OBWVWQXQUSDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)19-8-12-6-5-7-13(9-19)14(12)18-10-16(3,4)15(17)20/h11-14,18H,5-10H2,1-4H3,(H2,17,20).
What are the key properties of 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide is sourced from PubChem (CID 106275148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).