2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione

C20H39NO3 — CID 88527412

IUPAC2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione
SMILESCCCCC(CC)CNCC(CC)CCCC.O=C1CCC(=O)O1
InChIInChI=1S/C16H35N.C4H4O3/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;5-3-1-2-4(6)7-3/h15-17H,5-14H2,1-4H3;1-2H2
InChIKeyBKQZKHLPGFPDFH-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.86
Rot. Bonds12

About 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione

2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione (PubChem CID 88527412) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione
PubChem CID88527412
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione
SMILESCCCCC(CC)CNCC(CC)CCCC.O=C1CCC(=O)O1
InChIInChI=1S/C16H35N.C4H4O3/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;5-3-1-2-4(6)7-3/h15-17H,5-14H2,1-4H3;1-2H2
InChIKeyBKQZKHLPGFPDFH-UHFFFAOYSA-N
XLogP4.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
N,2-diethylhexan-1-amine
CID 14272988
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
2-ethyl-N-pentylhexan-1-amine
CID 43081963
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione (CID 88527412) is 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione is CCCCC(CC)CNCC(CC)CCCC.O=C1CCC(=O)O1.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione?
The InChIKey is BKQZKHLPGFPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C4H4O3/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;5-3-1-2-4(6)7-3/h15-17H,5-14H2,1-4H3;1-2H2.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione?
2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione has a molecular weight of 341.54 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione is sourced from PubChem (CID 88527412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).