ethane;tris(1-ethylpiperidine)

C31H75N3 — CID 145486989

IUPACethane;tris(1-ethylpiperidine)
SMILESCC.CC.CC.CC.CC.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C7H15N.5C2H6/c3*1-2-8-6-4-3-5-7-8;5*1-2/h3*2-7H2,1H3;5*1-2H3
InChIKeyFWOOCQGTWNBHSD-UHFFFAOYSA-N
MW489.96 g/mol
LogP9.61
Rot. Bonds3

About ethane;tris(1-ethylpiperidine)

ethane;tris(1-ethylpiperidine) (PubChem CID 145486989) has the molecular formula C31H75N3 and a molecular weight of 489.96 g/mol. Its IUPAC name is ethane;tris(1-ethylpiperidine).

Molecular Properties

Compound Nameethane;tris(1-ethylpiperidine)
PubChem CID145486989
Molecular FormulaC31H75N3
Molecular Weight489.96 g/mol
Exact Mass489.60
IUPAC Nameethane;tris(1-ethylpiperidine)
SMILESCC.CC.CC.CC.CC.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C7H15N.5C2H6/c3*1-2-8-6-4-3-5-7-8;5*1-2/h3*2-7H2,1H3;5*1-2H3
InChIKeyFWOOCQGTWNBHSD-UHFFFAOYSA-N
XLogP9.61
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.96
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;tris(1-ethylpiperidine)?
The IUPAC name of ethane;tris(1-ethylpiperidine) (CID 145486989) is ethane;tris(1-ethylpiperidine).
What is the SMILES notation for ethane;tris(1-ethylpiperidine)?
The canonical SMILES for ethane;tris(1-ethylpiperidine) is CC.CC.CC.CC.CC.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.
What is the InChIKey of ethane;tris(1-ethylpiperidine)?
The InChIKey is FWOOCQGTWNBHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N.5C2H6/c3*1-2-8-6-4-3-5-7-8;5*1-2/h3*2-7H2,1H3;5*1-2H3.
What are the key properties of ethane;tris(1-ethylpiperidine)?
ethane;tris(1-ethylpiperidine) has a molecular weight of 489.96 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(1-ethylpiperidine) is sourced from PubChem (CID 145486989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).