1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

C15H21N3O — CID 138386665

IUPAC1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CC2CC2(C)C1)Cc1ccncc1
InChIInChI=1S/C15H21N3O/c1-15-7-13(15)9-18(11-15)14(19)10-17(2)8-12-3-5-16-6-4-12/h3-6,13H,7-11H2,1-2H3
InChIKeyTUKRLIPOKOILEP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.38
Rot. Bonds4

About 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (PubChem CID 138386665) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
PubChem CID138386665
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CC2CC2(C)C1)Cc1ccncc1
InChIInChI=1S/C15H21N3O/c1-15-7-13(15)9-18(11-15)14(19)10-17(2)8-12-3-5-16-6-4-12/h3-6,13H,7-11H2,1-2H3
InChIKeyTUKRLIPOKOILEP-UHFFFAOYSA-N
XLogP1.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (CID 138386665) is 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is CN(CC(=O)N1CC2CC2(C)C1)Cc1ccncc1.
What is the InChIKey of 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The InChIKey is TUKRLIPOKOILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15-7-13(15)9-18(11-15)14(19)10-17(2)8-12-3-5-16-6-4-12/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone has a molecular weight of 259.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 138386665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).