3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one

C14H24N2O2 — CID 82189045

IUPAC3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1c(C(C)(C)C)ccc(CN)c1=O
InChIInChI=1S/C14H24N2O2/c1-14(2,3)12-7-6-11(10-15)13(17)16(12)8-5-9-18-4/h6-7H,5,8-10,15H2,1-4H3
InChIKeyHAQAIATTZHOLSW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.64
Rot. Bonds5

About 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one

3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82189045) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82189045
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1c(C(C)(C)C)ccc(CN)c1=O
InChIInChI=1S/C14H24N2O2/c1-14(2,3)12-7-6-11(10-15)13(17)16(12)8-5-9-18-4/h6-7H,5,8-10,15H2,1-4H3
InChIKeyHAQAIATTZHOLSW-UHFFFAOYSA-N
XLogP1.64
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
CID 82523464
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82188978
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
3-(bromomethyl)-1-butyl-6-tert-butylpyridin-2-one
CID 82523700
2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
CID 82523698
3-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)propanoic acid
CID 82523689
3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
CID 82189037
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
CID 82524040
2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one (CID 82189045) is 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one is COCCCn1c(C(C)(C)C)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is HAQAIATTZHOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)12-7-6-11(10-15)13(17)16(12)8-5-9-18-4/h6-7H,5,8-10,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one?
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82189045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).