4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane

C16H34N2O — CID 155752244

IUPAC4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane
SMILESCCN1CCCCN(CCCC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-4-17-9-5-6-10-18(11-7-8-16(2)3)13-15-19-14-12-17/h16H,4-15H2,1-3H3
InChIKeyUMPGGNFQBYXEGI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.86
Rot. Bonds5

About 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane

4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane (PubChem CID 155752244) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane.

Molecular Properties

Compound Name4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane
PubChem CID155752244
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane
SMILESCCN1CCCCN(CCCC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-4-17-9-5-6-10-18(11-7-8-16(2)3)13-15-19-14-12-17/h16H,4-15H2,1-3H3
InChIKeyUMPGGNFQBYXEGI-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ammonium, N,N-diethyl-N',N'-dimethyl-N,N'-oxydiethylenebis(pentyl-, dibromide
CID 45741
4-(2-Methylpentyl)morpholine
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Butyl-[2-[2-[butyl(dimethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium
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Butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium
CID 45734
Diethyl-heptyl-[2-[2-[heptyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
CID 45736
Diethyl-hexyl-[2-[2-[hexyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
CID 45738
2-[2-[Diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium
CID 45742
Butyl-diethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
CID 47242
Butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-diethylazanium
CID 14250795
N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine
CID 19822685
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine
CID 19907050

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane?
The IUPAC name of 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane (CID 155752244) is 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane.
What is the SMILES notation for 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane?
The canonical SMILES for 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane is CCN1CCCCN(CCCC(C)C)CCOCC1.
What is the InChIKey of 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane?
The InChIKey is UMPGGNFQBYXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-17-9-5-6-10-18(11-7-8-16(2)3)13-15-19-14-12-17/h16H,4-15H2,1-3H3.
What are the key properties of 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane?
4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane has a molecular weight of 270.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane is sourced from PubChem (CID 155752244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).