ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine

C17H35NO4 — CID 168959349

IUPACethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC.CNCCOCCOCCOCCOCC#CC(C)C
InChIInChI=1S/C15H29NO4.C2H6/c1-15(2)5-4-7-17-9-11-19-13-14-20-12-10-18-8-6-16-3;1-2/h15-16H,6-14H2,1-3H3;1-2H3
InChIKeyAIIMBDHOAVLEAA-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.96
Rot. Bonds13

About ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine

ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 168959349) has the molecular formula C17H35NO4 and a molecular weight of 317.47 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID168959349
Molecular FormulaC17H35NO4
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Nameethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC.CNCCOCCOCCOCCOCC#CC(C)C
InChIInChI=1S/C15H29NO4.C2H6/c1-15(2)5-4-7-17-9-11-19-13-14-20-12-10-18-8-6-16-3;1-2/h15-16H,6-14H2,1-3H3;1-2H3
InChIKeyAIIMBDHOAVLEAA-UHFFFAOYSA-N
XLogP1.96
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
CID 170709372
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
CID 165382525
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
4-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethylcarbamoyl]piperidine-1-sulfinate
CID 170709353
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 168959349) is ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine is CC.CNCCOCCOCCOCCOCC#CC(C)C.
What is the InChIKey of ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is AIIMBDHOAVLEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4.C2H6/c1-15(2)5-4-7-17-9-11-19-13-14-20-12-10-18-8-6-16-3;1-2/h15-16H,6-14H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine?
ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 317.47 g/mol, XLogP of 1.96, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 168959349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).