1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine

C22H50N2O4 — CID 178082901

IUPAC1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine
SMILESCC.CC.CC(=O)C1CCC1.CN.CON.O=CCCOCC1CCCCC1
InChIInChI=1S/C10H18O2.C6H10O.2C2H6.CH5NO.CH5N/c11-7-4-8-12-9-10-5-2-1-3-6-10;1-5(7)6-3-2-4-6;2*1-2;1-3-2;1-2/h7,10H,1-6,8-9H2;6H,2-4H2,1H3;2*1-2H3;2H2,1H3;2H2,1H3
InChIKeyBTVPOJLXFLOTAZ-UHFFFAOYSA-N
MW406.65 g/mol
LogP4.68
Rot. Bonds6

About 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine

1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine (PubChem CID 178082901) has the molecular formula C22H50N2O4 and a molecular weight of 406.65 g/mol. Its IUPAC name is 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine.

Molecular Properties

Compound Name1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine
PubChem CID178082901
Molecular FormulaC22H50N2O4
Molecular Weight406.65 g/mol
Exact Mass406.38
IUPAC Name1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine
SMILESCC.CC.CC(=O)C1CCC1.CN.CON.O=CCCOCC1CCCCC1
InChIInChI=1S/C10H18O2.C6H10O.2C2H6.CH5NO.CH5N/c11-7-4-8-12-9-10-5-2-1-3-6-10;1-5(7)6-3-2-4-6;2*1-2;1-3-2;1-2/h7,10H,1-6,8-9H2;6H,2-4H2,1H3;2*1-2H3;2H2,1H3;2H2,1H3
InChIKeyBTVPOJLXFLOTAZ-UHFFFAOYSA-N
XLogP4.68
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
2-methoxyethoxymethylcyclooctane
CID 3020404
2-(cyclohexylmethoxy)ethanamine;N-methylformamide
CID 166554436
3-(cyclohexylmethoxy)propanamide
CID 22444983
3-(2-cyclobutylethoxy)propanal
CID 106203331
cyclohexylmethyl 2-oxoacetate
CID 174782114
N-[2-(cyclohexylmethoxy)ethyl]formamide
CID 164604134
1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
CID 169159418
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
1-cyclopentylethanone;propane
CID 145026358
CID 88741399
CID 88741399

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine?
The IUPAC name of 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine (CID 178082901) is 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine.
What is the SMILES notation for 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine?
The canonical SMILES for 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine is CC.CC.CC(=O)C1CCC1.CN.CON.O=CCCOCC1CCCCC1.
What is the InChIKey of 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine?
The InChIKey is BTVPOJLXFLOTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C6H10O.2C2H6.CH5NO.CH5N/c11-7-4-8-12-9-10-5-2-1-3-6-10;1-5(7)6-3-2-4-6;2*1-2;1-3-2;1-2/h7,10H,1-6,8-9H2;6H,2-4H2,1H3;2*1-2H3;2H2,1H3;2H2,1H3.
What are the key properties of 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine?
1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine has a molecular weight of 406.65 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethanone;3-(cyclohexylmethoxy)propanal;ethane;methanamine;O-methylhydroxylamine is sourced from PubChem (CID 178082901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).