5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one

C15H25N3O — CID 65283618

IUPAC5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
SMILESCC1(C)CCCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C15H25N3O/c1-15(2)6-3-8-17(9-7-15)10-11-18-12-13(16)4-5-14(18)19/h4-5,12H,3,6-11,16H2,1-2H3
InChIKeyFKXVGZVUXWVLNQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.94
Rot. Bonds3

About 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one (PubChem CID 65283618) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
PubChem CID65283618
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
SMILESCC1(C)CCCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C15H25N3O/c1-15(2)6-3-8-17(9-7-15)10-11-18-12-13(16)4-5-14(18)19/h4-5,12H,3,6-11,16H2,1-2H3
InChIKeyFKXVGZVUXWVLNQ-UHFFFAOYSA-N
XLogP1.94
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one (CID 65283618) is 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one is CC1(C)CCCN(CCn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one?
The InChIKey is FKXVGZVUXWVLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2)6-3-8-17(9-7-15)10-11-18-12-13(16)4-5-14(18)19/h4-5,12H,3,6-11,16H2,1-2H3.
What are the key properties of 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 65283618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).