ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane

C45H109N5O8S2 — CID 159442983

IUPACethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane
SMILESC.CCC.CCC(=O)CC.CCC(=O)N(C)CC.CCC(=O)N(C)CC.CCCCC.CCN(C)CC.CCN(C)OS(=O)CC.CCOCC.CCOS(=O)N(C)CC
InChIInChI=1S/2C6H13NO.2C5H13NO2S.C5H13N.C5H10O.C5H12.C4H10O.C3H8.CH4/c2*1-4-6(8)7(3)5-2;1-4-6(3)8-9(7)5-2;1-4-6(3)9(7)8-5-2;1-4-6(3)5-2;1-3-5(6)4-2;2*1-3-5-4-2;1-3-2;/h2*4-5H2,1-3H3;2*4-5H2,1-3H3;4-5H2,1-3H3;3-4H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1H4
InChIKeyLSKCQOPZERTWPG-UHFFFAOYSA-N
MW912.53 g/mol
LogP10.48
Rot. Bonds20

About ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane

ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane (PubChem CID 159442983) has the molecular formula C45H109N5O8S2 and a molecular weight of 912.53 g/mol. Its IUPAC name is ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane.

Molecular Properties

Compound Nameethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane
PubChem CID159442983
Molecular FormulaC45H109N5O8S2
Molecular Weight912.53 g/mol
Exact Mass911.77
IUPAC Nameethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane
SMILESC.CCC.CCC(=O)CC.CCC(=O)N(C)CC.CCC(=O)N(C)CC.CCCCC.CCN(C)CC.CCN(C)OS(=O)CC.CCOCC.CCOS(=O)N(C)CC
InChIInChI=1S/2C6H13NO.2C5H13NO2S.C5H13N.C5H10O.C5H12.C4H10O.C3H8.CH4/c2*1-4-6(8)7(3)5-2;1-4-6(3)8-9(7)5-2;1-4-6(3)9(7)8-5-2;1-4-6(3)5-2;1-3-5(6)4-2;2*1-3-5-4-2;1-3-2;/h2*4-5H2,1-3H3;2*4-5H2,1-3H3;4-5H2,1-3H3;3-4H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1H4
InChIKeyLSKCQOPZERTWPG-UHFFFAOYSA-N
XLogP10.48
TPSA129.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.53
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane with MolForge

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Related Compounds

bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
butane;ethoxyethane;methane;pentane
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CID 143737672
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CID 173371191
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1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
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N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane?
The IUPAC name of ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane (CID 159442983) is ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane.
What is the SMILES notation for ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane?
The canonical SMILES for ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane is C.CCC.CCC(=O)CC.CCC(=O)N(C)CC.CCC(=O)N(C)CC.CCCCC.CCN(C)CC.CCN(C)OS(=O)CC.CCOCC.CCOS(=O)N(C)CC.
What is the InChIKey of ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane?
The InChIKey is LSKCQOPZERTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO.2C5H13NO2S.C5H13N.C5H10O.C5H12.C4H10O.C3H8.CH4/c2*1-4-6(8)7(3)5-2;1-4-6(3)8-9(7)5-2;1-4-6(3)9(7)8-5-2;1-4-6(3)5-2;1-3-5(6)4-2;2*1-3-5-4-2;1-3-2;/h2*4-5H2,1-3H3;2*4-5H2,1-3H3;4-5H2,1-3H3;3-4H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1H4.
What are the key properties of ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane?
ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane has a molecular weight of 912.53 g/mol, XLogP of 10.48, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;[ethoxysulfinyl(methyl)amino]ethane;[ethyl(methyl)amino] ethanesulfinate;N-ethyl-N-methylethanamine;bis(N-ethyl-N-methylpropanamide);methane;pentane;pentan-3-one;propane is sourced from PubChem (CID 159442983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).