1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione

C23H44N2O2 — CID 142676515

IUPAC1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
SMILESCN(C)CCCN1C(=O)CCCCCCCCCCCCCCCCC1=O
InChIInChI=1S/C23H44N2O2/c1-24(2)20-17-21-25-22(26)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23(25)27/h3-21H2,1-2H3
InChIKeyCEDMKHAQUKHIMZ-UHFFFAOYSA-N
MW380.62 g/mol
LogP5.55
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione

1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione (PubChem CID 142676515) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
PubChem CID142676515
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
SMILESCN(C)CCCN1C(=O)CCCCCCCCCCCCCCCCC1=O
InChIInChI=1S/C23H44N2O2/c1-24(2)20-17-21-25-22(26)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23(25)27/h3-21H2,1-2H3
InChIKeyCEDMKHAQUKHIMZ-UHFFFAOYSA-N
XLogP5.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70504867
3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione
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1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
1-(4-iodobutyl)azepane-2,7-dione
CID 139913177
1-[3-[bis(trimethylsilyl)amino]propyl]pyrrolidine-2,5-dione
CID 67079677
1-[3-(dimethylamino)propyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 82128206
1-undecylpiperidine-2,6-dione
CID 91705281
2-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 114526138
N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one
CID 67848441
(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489566
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione (CID 142676515) is 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione is CN(C)CCCN1C(=O)CCCCCCCCCCCCCCCCC1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione?
The InChIKey is CEDMKHAQUKHIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-24(2)20-17-21-25-22(26)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23(25)27/h3-21H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione?
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione has a molecular weight of 380.62 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione is sourced from PubChem (CID 142676515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).