1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one

C16H29N3O — CID 106252950

IUPAC1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
SMILESCC(C)N1CC2CCCC(C1)C2NC1CCN(C)C1=O
InChIInChI=1S/C16H29N3O/c1-11(2)19-9-12-5-4-6-13(10-19)15(12)17-14-7-8-18(3)16(14)20/h11-15,17H,4-10H2,1-3H3
InChIKeyBGUIVZDPBUATLM-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one

1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one (PubChem CID 106252950) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
PubChem CID106252950
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
SMILESCC(C)N1CC2CCCC(C1)C2NC1CCN(C)C1=O
InChIInChI=1S/C16H29N3O/c1-11(2)19-9-12-5-4-6-13(10-19)15(12)17-14-7-8-18(3)16(14)20/h11-15,17H,4-10H2,1-3H3
InChIKeyBGUIVZDPBUATLM-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one
CID 64656507
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106024089
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanoic acid
CID 54960108
N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63924083
N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64740285
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
CID 81384940
3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
CID 130500214
(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
CID 25324115
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 80716268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one (CID 106252950) is 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one is CC(C)N1CC2CCCC(C1)C2NC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one?
The InChIKey is BGUIVZDPBUATLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(2)19-9-12-5-4-6-13(10-19)15(12)17-14-7-8-18(3)16(14)20/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one?
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one has a molecular weight of 279.43 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106252950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).