ethane;methanamine;11-phenylundecanal

C20H37NO — CID 153398504

IUPACethane;methanamine;11-phenylundecanal
SMILESCC.CN.O=CCCCCCCCCCCc1ccccc1
InChIInChI=1S/C17H26O.C2H6.CH5N/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17;2*1-2/h8,10-11,14-16H,1-7,9,12-13H2;1-2H3;2H2,1H3
InChIKeyYCEINOJLCLGRIN-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.54
Rot. Bonds11

About ethane;methanamine;11-phenylundecanal

ethane;methanamine;11-phenylundecanal (PubChem CID 153398504) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is ethane;methanamine;11-phenylundecanal.

Molecular Properties

Compound Nameethane;methanamine;11-phenylundecanal
PubChem CID153398504
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Nameethane;methanamine;11-phenylundecanal
SMILESCC.CN.O=CCCCCCCCCCCc1ccccc1
InChIInChI=1S/C17H26O.C2H6.CH5N/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17;2*1-2/h8,10-11,14-16H,1-7,9,12-13H2;1-2H3;2H2,1H3
InChIKeyYCEINOJLCLGRIN-UHFFFAOYSA-N
XLogP5.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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formamide;hexadecylbenzene;propane
CID 162756092
5-(4-diphenylphosphanylphenyl)pentanal
CID 12013218
N-(9-phenylnon-2-enyl)formamide
CID 123527841
N-(6-phenylhexyl)formamide
CID 25180077
5-(3-aminophenyl)pentanal
CID 54510654
hept-6-enylbenzene
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4-phenylbutylbenzene
CID 141301927
[(Z)-heptadec-10-enyl]benzene
CID 175397737

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;11-phenylundecanal?
The IUPAC name of ethane;methanamine;11-phenylundecanal (CID 153398504) is ethane;methanamine;11-phenylundecanal.
What is the SMILES notation for ethane;methanamine;11-phenylundecanal?
The canonical SMILES for ethane;methanamine;11-phenylundecanal is CC.CN.O=CCCCCCCCCCCc1ccccc1.
What is the InChIKey of ethane;methanamine;11-phenylundecanal?
The InChIKey is YCEINOJLCLGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C2H6.CH5N/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17;2*1-2/h8,10-11,14-16H,1-7,9,12-13H2;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;11-phenylundecanal?
ethane;methanamine;11-phenylundecanal has a molecular weight of 307.52 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;11-phenylundecanal is sourced from PubChem (CID 153398504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).