3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one

C14H26N2O2 — CID 70548666

IUPAC3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one
SMILESCC(C)(CN)C(=O)CC1CCCCCCNC1=O
InChIInChI=1S/C14H26N2O2/c1-14(2,10-15)12(17)9-11-7-5-3-4-6-8-16-13(11)18/h11H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyPGVGVOVLALSUKX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.63
Rot. Bonds4

About 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one

3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one (PubChem CID 70548666) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one
PubChem CID70548666
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one
SMILESCC(C)(CN)C(=O)CC1CCCCCCNC1=O
InChIInChI=1S/C14H26N2O2/c1-14(2,10-15)12(17)9-11-7-5-3-4-6-8-16-13(11)18/h11H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyPGVGVOVLALSUKX-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one?
The IUPAC name of 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one (CID 70548666) is 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one.
What is the SMILES notation for 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one?
The canonical SMILES for 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one is CC(C)(CN)C(=O)CC1CCCCCCNC1=O.
What is the InChIKey of 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one?
The InChIKey is PGVGVOVLALSUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,10-15)12(17)9-11-7-5-3-4-6-8-16-13(11)18/h11H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one?
3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethyl-2-oxobutyl)azonan-2-one is sourced from PubChem (CID 70548666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).