1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane

C21H43N3O3 — CID 176917954

IUPAC1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane
SMILESCC.CCC.CCCCC(=O)N1CN(C(=O)CCC)CN(C(=O)CCC)C1
InChIInChI=1S/C16H29N3O3.C3H8.C2H6/c1-4-7-10-16(22)19-12-17(14(20)8-5-2)11-18(13-19)15(21)9-6-3;1-3-2;1-2/h4-13H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyRQFQTSVVASWCAA-UHFFFAOYSA-N
MW385.59 g/mol
LogP4.59
Rot. Bonds7

About 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane

1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane (PubChem CID 176917954) has the molecular formula C21H43N3O3 and a molecular weight of 385.59 g/mol. Its IUPAC name is 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane.

Molecular Properties

Compound Name1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane
PubChem CID176917954
Molecular FormulaC21H43N3O3
Molecular Weight385.59 g/mol
Exact Mass385.33
IUPAC Name1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane
SMILESCC.CCC.CCCCC(=O)N1CN(C(=O)CCC)CN(C(=O)CCC)C1
InChIInChI=1S/C16H29N3O3.C3H8.C2H6/c1-4-7-10-16(22)19-12-17(14(20)8-5-2)11-18(13-19)15(21)9-6-3;1-3-2;1-2/h4-13H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyRQFQTSVVASWCAA-UHFFFAOYSA-N
XLogP4.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
4-pentanoylpiperazine-1-sulfonamide
CID 61072587
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane?
The IUPAC name of 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane (CID 176917954) is 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane.
What is the SMILES notation for 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane?
The canonical SMILES for 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane is CC.CCC.CCCCC(=O)N1CN(C(=O)CCC)CN(C(=O)CCC)C1.
What is the InChIKey of 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane?
The InChIKey is RQFQTSVVASWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3.C3H8.C2H6/c1-4-7-10-16(22)19-12-17(14(20)8-5-2)11-18(13-19)15(21)9-6-3;1-3-2;1-2/h4-13H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane?
1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane has a molecular weight of 385.59 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(butanoyl)-1,3,5-triazinan-1-yl]pentan-1-one;ethane;propane is sourced from PubChem (CID 176917954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).