1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one

C16H27N3O — CID 82897537

IUPAC1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)C1(CN)CCCCCC1
InChIInChI=1S/C16H27N3O/c1-18(12-13-19-11-7-4-8-15(19)20)16(14-17)9-5-2-3-6-10-16/h4,7-8,11H,2-3,5-6,9-10,12-14,17H2,1H3
InChIKeyBCIGWSLMYRSEQW-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one

1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one (PubChem CID 82897537) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one
PubChem CID82897537
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)C1(CN)CCCCCC1
InChIInChI=1S/C16H27N3O/c1-18(12-13-19-11-7-4-8-15(19)20)16(14-17)9-5-2-3-6-10-16/h4,7-8,11H,2-3,5-6,9-10,12-14,17H2,1H3
InChIKeyBCIGWSLMYRSEQW-UHFFFAOYSA-N
XLogP1.83
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one (CID 82897537) is 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one is CN(CCn1ccccc1=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one?
The InChIKey is BCIGWSLMYRSEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(12-13-19-11-7-4-8-15(19)20)16(14-17)9-5-2-3-6-10-16/h4,7-8,11H,2-3,5-6,9-10,12-14,17H2,1H3.
What are the key properties of 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one?
1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(aminomethyl)cycloheptyl]-methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).