N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene

C26H44N2O2 — CID 144909630

IUPACN,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene
SMILESC=O.CC.CCCc1ccccc1.CN(C)C.Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H15NO.C9H12.C3H9N.C2H6.CH2O/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12;1-2-6-9-7-4-3-5-8-9;1-4(2)3;2*1-2/h2-4,9H,5-8H2,1H3;3-5,7-8H,2,6H2,1H3;1-3H3;1-2H3;1H2
InChIKeyAMUNYLZUAPFAIO-UHFFFAOYSA-N
MW416.65 g/mol
LogP5.49
Rot. Bonds3

About N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene

N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene (PubChem CID 144909630) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene
PubChem CID144909630
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC NameN,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene
SMILESC=O.CC.CCCc1ccccc1.CN(C)C.Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H15NO.C9H12.C3H9N.C2H6.CH2O/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12;1-2-6-9-7-4-3-5-8-9;1-4(2)3;2*1-2/h2-4,9H,5-8H2,1H3;3-5,7-8H,2,6H2,1H3;1-3H3;1-2H3;1H2
InChIKeyAMUNYLZUAPFAIO-UHFFFAOYSA-N
XLogP5.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene
CID 176686247
4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545940
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
4-(4-benzylphenyl)morpholine
CID 11514364
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
1-(3-methylphenyl)piperidine;propane
CID 143942273
furan;1-methyl-3-propylbenzene
CID 90871497

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene?
The IUPAC name of N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene (CID 144909630) is N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene?
The canonical SMILES for N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene is C=O.CC.CCCc1ccccc1.CN(C)C.Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene?
The InChIKey is AMUNYLZUAPFAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C9H12.C3H9N.C2H6.CH2O/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12;1-2-6-9-7-4-3-5-8-9;1-4(2)3;2*1-2/h2-4,9H,5-8H2,1H3;3-5,7-8H,2,6H2,1H3;1-3H3;1-2H3;1H2.
What are the key properties of N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene?
N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene has a molecular weight of 416.65 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene is sourced from PubChem (CID 144909630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).