ethane;tris(1-propylpiperidine)

C28H63N3 — CID 142128706

IUPACethane;tris(1-propylpiperidine)
SMILESCC.CC.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCCCC1
InChIInChI=1S/3C8H17N.2C2H6/c3*1-2-6-9-7-4-3-5-8-9;2*1-2/h3*2-8H2,1H3;2*1-2H3
InChIKeyMSQFMSYTHGDGSZ-UHFFFAOYSA-N
MW441.83 g/mol
LogP7.70
Rot. Bonds6

About ethane;tris(1-propylpiperidine)

ethane;tris(1-propylpiperidine) (PubChem CID 142128706) has the molecular formula C28H63N3 and a molecular weight of 441.83 g/mol. Its IUPAC name is ethane;tris(1-propylpiperidine).

Molecular Properties

Compound Nameethane;tris(1-propylpiperidine)
PubChem CID142128706
Molecular FormulaC28H63N3
Molecular Weight441.83 g/mol
Exact Mass441.50
IUPAC Nameethane;tris(1-propylpiperidine)
SMILESCC.CC.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCCCC1
InChIInChI=1S/3C8H17N.2C2H6/c3*1-2-6-9-7-4-3-5-8-9;2*1-2/h3*2-8H2,1H3;2*1-2H3
InChIKeyMSQFMSYTHGDGSZ-UHFFFAOYSA-N
XLogP7.70
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.83
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;tris(1-propylpiperidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;tris(1-propylpiperidine)?
The IUPAC name of ethane;tris(1-propylpiperidine) (CID 142128706) is ethane;tris(1-propylpiperidine).
What is the SMILES notation for ethane;tris(1-propylpiperidine)?
The canonical SMILES for ethane;tris(1-propylpiperidine) is CC.CC.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCCCC1.
What is the InChIKey of ethane;tris(1-propylpiperidine)?
The InChIKey is MSQFMSYTHGDGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17N.2C2H6/c3*1-2-6-9-7-4-3-5-8-9;2*1-2/h3*2-8H2,1H3;2*1-2H3.
What are the key properties of ethane;tris(1-propylpiperidine)?
ethane;tris(1-propylpiperidine) has a molecular weight of 441.83 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(1-propylpiperidine) is sourced from PubChem (CID 142128706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).