7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione

C20H39NO3 — CID 171629292

IUPAC7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
SMILESCCC(C)C(=O)CCC(CCC(=O)C(C)CC)OCCCN(C)C
InChIInChI=1S/C20H39NO3/c1-7-16(3)19(22)12-10-18(24-15-9-14-21(5)6)11-13-20(23)17(4)8-2/h16-18H,7-15H2,1-6H3
InChIKeyINQMEYFPYSYMCX-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.11
Rot. Bonds15

About 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione

7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione (PubChem CID 171629292) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
PubChem CID171629292
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
SMILESCCC(C)C(=O)CCC(CCC(=O)C(C)CC)OCCCN(C)C
InChIInChI=1S/C20H39NO3/c1-7-16(3)19(22)12-10-18(24-15-9-14-21(5)6)11-13-20(23)17(4)8-2/h16-18H,7-15H2,1-6H3
InChIKeyINQMEYFPYSYMCX-UHFFFAOYSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

15-(dimethylamino)-3-methylpentadecan-4-one
CID 143840613
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
CID 171629245
3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
undecan-6-yl 5-[4-(dimethylamino)butanoyloxy]-9-pentadecan-8-yloxynonanoate
CID 166116653
9-[4-(dimethylamino)butoxy]heptadecanedioic acid;9-[4-(dimethylamino)butoxy]heptadecanedioyl dichloride
CID 167601961
1-(diethylamino)-4-methylhexan-3-one
CID 79446320
N,N,5-trimethyl-4-oxoheptanamide
CID 88975124
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82330438
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
CID 171629250
2,19-dimethylhenicosane-3,18-dione
CID 138498522

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione (CID 171629292) is 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione is CCC(C)C(=O)CCC(CCC(=O)C(C)CC)OCCCN(C)C.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione?
The InChIKey is INQMEYFPYSYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-7-16(3)19(22)12-10-18(24-15-9-14-21(5)6)11-13-20(23)17(4)8-2/h16-18H,7-15H2,1-6H3.
What are the key properties of 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione?
7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione has a molecular weight of 341.54 g/mol, XLogP of 4.11, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione is sourced from PubChem (CID 171629292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).