ethane;1-ethylpiperidine

C11H27N — CID 90845344

IUPACethane;1-ethylpiperidine
SMILESCC.CC.CCN1CCCCC1
InChIInChI=1S/C7H15N.2C2H6/c1-2-8-6-4-3-5-7-8;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyCOXBDEIYFPYDCI-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.54
Rot. Bonds1

About ethane;1-ethylpiperidine

ethane;1-ethylpiperidine (PubChem CID 90845344) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;1-ethylpiperidine.

Molecular Properties

Compound Nameethane;1-ethylpiperidine
PubChem CID90845344
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;1-ethylpiperidine
SMILESCC.CC.CCN1CCCCC1
InChIInChI=1S/C7H15N.2C2H6/c1-2-8-6-4-3-5-7-8;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyCOXBDEIYFPYDCI-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylpiperidine
CID 13007
1-ethylpiperidine;methane
CID 162133943
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
dichloromethane;1-ethylpiperidine
CID 174832061
ethane;1-ethylpyrrolidine;2-methylpropan-2-amine
CID 168977329
CID 173085999
CID 173085999
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
CID 70007313
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-ethylpyrrolidine;sulfanyloxymethane
CID 172620530
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethylpiperidine;4-methylmorpholine
CID 70445137

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylpiperidine?
The IUPAC name of ethane;1-ethylpiperidine (CID 90845344) is ethane;1-ethylpiperidine.
What is the SMILES notation for ethane;1-ethylpiperidine?
The canonical SMILES for ethane;1-ethylpiperidine is CC.CC.CCN1CCCCC1.
What is the InChIKey of ethane;1-ethylpiperidine?
The InChIKey is COXBDEIYFPYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C2H6/c1-2-8-6-4-3-5-7-8;2*1-2/h2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethylpiperidine?
ethane;1-ethylpiperidine has a molecular weight of 173.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylpiperidine is sourced from PubChem (CID 90845344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).