acetonitrile;4-butylmorpholin-4-ium

C10H21N2O+ — CID 86752402

IUPACacetonitrile;4-butylmorpholin-4-ium
SMILESCC#N.CCCC[NH+]1CCOCC1
InChIInChI=1S/C8H17NO.C2H3N/c1-2-3-4-9-5-7-10-8-6-9;1-2-3/h2-8H2,1H3;1H3/p+1
InChIKeyLCBBGWNPTCIBSY-UHFFFAOYSA-O
MW185.29 g/mol
LogP0.23
Rot. Bonds3

About acetonitrile;4-butylmorpholin-4-ium

acetonitrile;4-butylmorpholin-4-ium (PubChem CID 86752402) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is acetonitrile;4-butylmorpholin-4-ium.

Molecular Properties

Compound Nameacetonitrile;4-butylmorpholin-4-ium
PubChem CID86752402
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nameacetonitrile;4-butylmorpholin-4-ium
SMILESCC#N.CCCC[NH+]1CCOCC1
InChIInChI=1S/C8H17NO.C2H3N/c1-2-3-4-9-5-7-10-8-6-9;1-2-3/h2-8H2,1H3;1H3/p+1
InChIKeyLCBBGWNPTCIBSY-UHFFFAOYSA-O
XLogP0.23
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butylmorpholin-4-ium
CID 18931037
1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide
CID 166162243
10-morpholin-4-ium-4-yldecan-1-ol iodide
CID 89438909
2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7015303
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
1,4-dioxane;tetradecane
CID 159034856
4-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)ethyl]morpholin-4-ium dichloride
CID 110175239
5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione
CID 6987895
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668
1-butylpyrrolidin-1-ium acetate
CID 118062280
1-heptyl-4-methylpiperazine-1,4-diium
CID 101132983
4-(2-morpholin-4-ium-4-ylethoxy)benzonitrile
CID 7164632

Frequently Asked Questions

What is the IUPAC name of acetonitrile;4-butylmorpholin-4-ium?
The IUPAC name of acetonitrile;4-butylmorpholin-4-ium (CID 86752402) is acetonitrile;4-butylmorpholin-4-ium.
What is the SMILES notation for acetonitrile;4-butylmorpholin-4-ium?
The canonical SMILES for acetonitrile;4-butylmorpholin-4-ium is CC#N.CCCC[NH+]1CCOCC1.
What is the InChIKey of acetonitrile;4-butylmorpholin-4-ium?
The InChIKey is LCBBGWNPTCIBSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO.C2H3N/c1-2-3-4-9-5-7-10-8-6-9;1-2-3/h2-8H2,1H3;1H3/p+1.
What are the key properties of acetonitrile;4-butylmorpholin-4-ium?
acetonitrile;4-butylmorpholin-4-ium has a molecular weight of 185.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;4-butylmorpholin-4-ium is sourced from PubChem (CID 86752402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).