ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine

C15H34N2O2 — CID 163271444

IUPACethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine
SMILESCC.CC(=O)NCC(C)C.CN1CCOCC1(C)C
InChIInChI=1S/C7H15NO.C6H13NO.C2H6/c1-7(2)6-9-5-4-8(7)3;1-5(2)4-7-6(3)8;1-2/h4-6H2,1-3H3;5H,4H2,1-3H3,(H,7,8);1-2H3
InChIKeyQSPISHCMHMKHFW-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.53
Rot. Bonds2

About ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine

ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine (PubChem CID 163271444) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine.

Molecular Properties

Compound Nameethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine
PubChem CID163271444
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Nameethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine
SMILESCC.CC(=O)NCC(C)C.CN1CCOCC1(C)C
InChIInChI=1S/C7H15NO.C6H13NO.C2H6/c1-7(2)6-9-5-4-8(7)3;1-5(2)4-7-6(3)8;1-2/h4-6H2,1-3H3;5H,4H2,1-3H3,(H,7,8);1-2H3
InChIKeyQSPISHCMHMKHFW-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119876458
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81019120
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
N-[2-(3,3-dimethylmorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 62461681
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503703
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine?
The IUPAC name of ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine (CID 163271444) is ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine.
What is the SMILES notation for ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine?
The canonical SMILES for ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine is CC.CC(=O)NCC(C)C.CN1CCOCC1(C)C.
What is the InChIKey of ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine?
The InChIKey is QSPISHCMHMKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H13NO.C2H6/c1-7(2)6-9-5-4-8(7)3;1-5(2)4-7-6(3)8;1-2/h4-6H2,1-3H3;5H,4H2,1-3H3,(H,7,8);1-2H3.
What are the key properties of ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine?
ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine has a molecular weight of 274.45 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpropyl)acetamide;3,3,4-trimethylmorpholine is sourced from PubChem (CID 163271444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).