2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one

C14H20N2O — CID 60863279

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
SMILESCN(Cc1ccncc1)C1CCCCCC1=O
InChIInChI=1S/C14H20N2O/c1-16(11-12-7-9-15-10-8-12)13-5-3-2-4-6-14(13)17/h7-10,13H,2-6,11H2,1H3
InChIKeyQQLFYNYDZRTJHD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds3

About 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one

2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one (PubChem CID 60863279) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
PubChem CID60863279
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
SMILESCN(Cc1ccncc1)C1CCCCCC1=O
InChIInChI=1S/C14H20N2O/c1-16(11-12-7-9-15-10-8-12)13-5-3-2-4-6-14(13)17/h7-10,13H,2-6,11H2,1H3
InChIKeyQQLFYNYDZRTJHD-UHFFFAOYSA-N
XLogP2.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one (CID 60863279) is 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one is CN(Cc1ccncc1)C1CCCCCC1=O.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one?
The InChIKey is QQLFYNYDZRTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(11-12-7-9-15-10-8-12)13-5-3-2-4-6-14(13)17/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one?
2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 60863279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).