N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen

C12H28N2O2 — CID 142406599

IUPACN-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen
SMILESCCNC(=O)CC(C)C.CN1CCOCC1.[H][H]
InChIInChI=1S/C7H15NO.C5H11NO.H2/c1-4-8-7(9)5-6(2)3;1-6-2-4-7-5-3-6;/h6H,4-5H2,1-3H3,(H,8,9);2-5H2,1H3;1H
InChIKeyRAGQSKMFOALOOW-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.36
Rot. Bonds3

About N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen

N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen (PubChem CID 142406599) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen
PubChem CID142406599
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen
SMILESCCNC(=O)CC(C)C.CN1CCOCC1.[H][H]
InChIInChI=1S/C7H15NO.C5H11NO.H2/c1-4-8-7(9)5-6(2)3;1-6-2-4-7-5-3-6;/h6H,4-5H2,1-3H3,(H,8,9);2-5H2,1H3;1H
InChIKeyRAGQSKMFOALOOW-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide
CID 113053643
N-fluoroethanamine;4-methylmorpholine
CID 142858487
butane;bis(4-methylmorpholine)
CID 159010392
4-amino-N-ethyl-3-(3-ethylmorpholin-4-yl)butanamide
CID 66426517
3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen
CID 153366158
N-ethyl-3-(3-morpholin-4-ylpropylamino)propanamide
CID 55024787
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadecanamide
CID 54522748
2,6-dimethylheptan-4-one;oxolane
CID 23467085
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen?
The IUPAC name of N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen (CID 142406599) is N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen.
What is the SMILES notation for N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen?
The canonical SMILES for N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen is CCNC(=O)CC(C)C.CN1CCOCC1.[H][H].
What is the InChIKey of N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen?
The InChIKey is RAGQSKMFOALOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C5H11NO.H2/c1-4-8-7(9)5-6(2)3;1-6-2-4-7-5-3-6;/h6H,4-5H2,1-3H3,(H,8,9);2-5H2,1H3;1H.
What are the key properties of N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen?
N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen has a molecular weight of 232.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen is sourced from PubChem (CID 142406599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).