butanenitrile;1-ethylpiperidine

C11H22N2 — CID 171531989

IUPACbutanenitrile;1-ethylpiperidine
SMILESCCCC#N.CCN1CCCCC1
InChIInChI=1S/C7H15N.C4H7N/c1-2-8-6-4-3-5-7-8;1-2-3-4-5/h2-7H2,1H3;2-3H2,1H3
InChIKeyOCQGLCHZYQNNIR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.80
Rot. Bonds2

About butanenitrile;1-ethylpiperidine

butanenitrile;1-ethylpiperidine (PubChem CID 171531989) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is butanenitrile;1-ethylpiperidine.

Molecular Properties

Compound Namebutanenitrile;1-ethylpiperidine
PubChem CID171531989
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namebutanenitrile;1-ethylpiperidine
SMILESCCCC#N.CCN1CCCCC1
InChIInChI=1S/C7H15N.C4H7N/c1-2-8-6-4-3-5-7-8;1-2-3-4-5/h2-7H2,1H3;2-3H2,1H3
InChIKeyOCQGLCHZYQNNIR-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butanenitrile;1-ethylpiperidine?
The IUPAC name of butanenitrile;1-ethylpiperidine (CID 171531989) is butanenitrile;1-ethylpiperidine.
What is the SMILES notation for butanenitrile;1-ethylpiperidine?
The canonical SMILES for butanenitrile;1-ethylpiperidine is CCCC#N.CCN1CCCCC1.
What is the InChIKey of butanenitrile;1-ethylpiperidine?
The InChIKey is OCQGLCHZYQNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H7N/c1-2-8-6-4-3-5-7-8;1-2-3-4-5/h2-7H2,1H3;2-3H2,1H3.
What are the key properties of butanenitrile;1-ethylpiperidine?
butanenitrile;1-ethylpiperidine has a molecular weight of 182.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanenitrile;1-ethylpiperidine is sourced from PubChem (CID 171531989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).