2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H29N3O — CID 61231358

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(C1CC2CCC(C1)N2)C(C)C(=O)N1CCCC1
InChIInChI=1S/C16H29N3O/c1-3-19(12(2)16(20)18-8-4-5-9-18)15-10-13-6-7-14(11-15)17-13/h12-15,17H,3-11H2,1-2H3
InChIKeyGGJPAPMQTZIOGD-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.60
Rot. Bonds4

About 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 61231358) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID61231358
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(C1CC2CCC(C1)N2)C(C)C(=O)N1CCCC1
InChIInChI=1S/C16H29N3O/c1-3-19(12(2)16(20)18-8-4-5-9-18)15-10-13-6-7-14(11-15)17-13/h12-15,17H,3-11H2,1-2H3
InChIKeyGGJPAPMQTZIOGD-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpiperidine-1-carboxamide
CID 79155280
N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113490124
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
N-ethyl-N-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232830
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64850823
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106615136
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
CID 61231318
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 61231358) is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCN(C1CC2CCC(C1)N2)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GGJPAPMQTZIOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-19(12(2)16(20)18-8-4-5-9-18)15-10-13-6-7-14(11-15)17-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 279.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 61231358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).