2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine

C30H36N4O2 — CID 146637167

IUPAC2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOCC12CN3C(c4ccccc4)N(C1)C(c1ccccc1)N(C2)C3c1ccccc1
InChIInChI=1S/C30H36N4O2/c31-16-17-35-18-19-36-23-30-20-32-27(24-10-4-1-5-11-24)33(21-30)29(26-14-8-3-9-15-26)34(22-30)28(32)25-12-6-2-7-13-25/h1-15,27-29H,16-23,31H2
InChIKeyDCCWSFNBBCBPGJ-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.01
Rot. Bonds10

About 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine

2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine (PubChem CID 146637167) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine
PubChem CID146637167
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Name2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOCC12CN3C(c4ccccc4)N(C1)C(c1ccccc1)N(C2)C3c1ccccc1
InChIInChI=1S/C30H36N4O2/c31-16-17-35-18-19-36-23-30-20-32-27(24-10-4-1-5-11-24)33(21-30)29(26-14-8-3-9-15-26)34(22-30)28(32)25-12-6-2-7-13-25/h1-15,27-29H,16-23,31H2
InChIKeyDCCWSFNBBCBPGJ-UHFFFAOYSA-N
XLogP4.01
TPSA54.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine (CID 146637167) is 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine is NCCOCCOCC12CN3C(c4ccccc4)N(C1)C(c1ccccc1)N(C2)C3c1ccccc1.
What is the InChIKey of 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine?
The InChIKey is DCCWSFNBBCBPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c31-16-17-35-18-19-36-23-30-20-32-27(24-10-4-1-5-11-24)33(21-30)29(26-14-8-3-9-15-26)34(22-30)28(32)25-12-6-2-7-13-25/h1-15,27-29H,16-23,31H2.
What are the key properties of 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine?
2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine has a molecular weight of 484.64 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methoxy]ethoxy]ethanamine is sourced from PubChem (CID 146637167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).