4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine

C35H72N6O8 — CID 159185172

IUPAC4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine
SMILESC1COCCN1.CC(=O)N1CCOCC1.CCC(=O)N1CCOCC1.CCCN1CCOCC1.CCN1CCOCC1.CN1CCOCC1
InChIInChI=1S/C7H13NO2.C7H15NO.C6H11NO2.C6H13NO.C5H11NO.C4H9NO/c1-2-7(9)8-3-5-10-6-4-8;1-2-3-8-4-6-9-7-5-8;1-6(8)7-2-4-9-5-3-7;1-2-7-3-5-8-6-4-7;1-6-2-4-7-5-3-6;1-3-6-4-2-5-1/h2-6H2,1H3;2-7H2,1H3;2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;5H,1-4H2
InChIKeyKNJYCZULQPKWEG-UHFFFAOYSA-N
MW705.00 g/mol
LogP0.74
Rot. Bonds4

About 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine

4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine (PubChem CID 159185172) has the molecular formula C35H72N6O8 and a molecular weight of 705.00 g/mol. Its IUPAC name is 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine.

Molecular Properties

Compound Name4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine
PubChem CID159185172
Molecular FormulaC35H72N6O8
Molecular Weight705.00 g/mol
Exact Mass704.54
IUPAC Name4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine
SMILESC1COCCN1.CC(=O)N1CCOCC1.CCC(=O)N1CCOCC1.CCCN1CCOCC1.CCN1CCOCC1.CN1CCOCC1
InChIInChI=1S/C7H13NO2.C7H15NO.C6H11NO2.C6H13NO.C5H11NO.C4H9NO/c1-2-7(9)8-3-5-10-6-4-8;1-2-3-8-4-6-9-7-5-8;1-6(8)7-2-4-9-5-3-7;1-2-7-3-5-8-6-4-7;1-6-2-4-7-5-3-6;1-3-6-4-2-5-1/h2-6H2,1H3;2-7H2,1H3;2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;5H,1-4H2
InChIKeyKNJYCZULQPKWEG-UHFFFAOYSA-N
XLogP0.74
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.00
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Launch Full Analysis

Related Compounds

1,4-Dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone
CID 157087223
N-[2-(dimethylamino)ethyl]propanamide;N,N-dimethylmethanamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;1-(2-methoxyethyl)piperidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)propan-1-one;1-methylpiperidine;N,N',N'-trimethylethane-1,2-diamine
CID 161252831
4-Ethylmorpholine;methane;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine
CID 161557793

Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine?
The IUPAC name of 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine (CID 159185172) is 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine.
What is the SMILES notation for 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine?
The canonical SMILES for 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine is C1COCCN1.CC(=O)N1CCOCC1.CCC(=O)N1CCOCC1.CCCN1CCOCC1.CCN1CCOCC1.CN1CCOCC1.
What is the InChIKey of 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine?
The InChIKey is KNJYCZULQPKWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C7H15NO.C6H11NO2.C6H13NO.C5H11NO.C4H9NO/c1-2-7(9)8-3-5-10-6-4-8;1-2-3-8-4-6-9-7-5-8;1-6(8)7-2-4-9-5-3-7;1-2-7-3-5-8-6-4-7;1-6-2-4-7-5-3-6;1-3-6-4-2-5-1/h2-6H2,1H3;2-7H2,1H3;2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;5H,1-4H2.
What are the key properties of 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine?
4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine has a molecular weight of 705.00 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine is sourced from PubChem (CID 159185172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).