(3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one

C13H25NO2 — CID 144957279

IUPAC(3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one
SMILESCCCC1CCC[C@H](NC)C(=O)OC(C)C1
InChIInChI=1S/C13H25NO2/c1-4-6-11-7-5-8-12(14-3)13(15)16-10(2)9-11/h10-12,14H,4-9H2,1-3H3/t10?,11?,12-/m0/s1
InChIKeyUWVIKZOGMUBFCW-MCIGGMRASA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

About (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one

(3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one (PubChem CID 144957279) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one.

Molecular Properties

Compound Name(3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one
PubChem CID144957279
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one
SMILESCCCC1CCC[C@H](NC)C(=O)OC(C)C1
InChIInChI=1S/C13H25NO2/c1-4-6-11-7-5-8-12(14-3)13(15)16-10(2)9-11/h10-12,14H,4-9H2,1-3H3/t10?,11?,12-/m0/s1
InChIKeyUWVIKZOGMUBFCW-MCIGGMRASA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-7-(2-ethylbutyl)-9-methyl-3-(methylamino)oxonan-2-one
CID 144822158
tert-butyl N-[(3S)-9-methyl-2-oxo-7-propyl-1,5-dioxonan-3-yl]carbamate
CID 144995857
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
benzyl N-[(3S)-9-methyl-2-oxo-7-propyl-1,5-dioxonan-3-yl]carbamate
CID 144995887
1-ethyl-3-propylcyclohexane
CID 22129036
(3S,7R,8R,9S)-8-cyclopentyloxy-9-methyl-3-(methylamino)-7-(3-methylbutyl)oxonan-2-one
CID 129304934
3-methyl-7-propyloxepan-2-one
CID 25003699
3-butyl-5-methyloxolan-2-one;ethane
CID 143288540
4-methyl-3-oxabicyclo[4.3.2]undecan-2-one
CID 123229983
(3R)-5-methyl-3-pentyloxolan-2-one
CID 89288605
5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one
CID 130669953
(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one
CID 144995944

Frequently Asked Questions

What is the IUPAC name of (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one?
The IUPAC name of (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one (CID 144957279) is (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one.
What is the SMILES notation for (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one?
The canonical SMILES for (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one is CCCC1CCC[C@H](NC)C(=O)OC(C)C1.
What is the InChIKey of (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one?
The InChIKey is UWVIKZOGMUBFCW-MCIGGMRASA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-11-7-5-8-12(14-3)13(15)16-10(2)9-11/h10-12,14H,4-9H2,1-3H3/t10?,11?,12-/m0/s1.
What are the key properties of (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one?
(3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-9-methyl-3-(methylamino)-7-propyloxonan-2-one is sourced from PubChem (CID 144957279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).