2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C16H28N2O — CID 83212672

IUPAC2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCNC1CCCCc2cn(CCOCC)cc21
InChIInChI=1S/C16H28N2O/c1-3-9-17-16-8-6-5-7-14-12-18(13-15(14)16)10-11-19-4-2/h12-13,16-17H,3-11H2,1-2H3
InChIKeyWUBKGGPRYJLTLY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.29
Rot. Bonds7

About 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83212672) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83212672
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCNC1CCCCc2cn(CCOCC)cc21
InChIInChI=1S/C16H28N2O/c1-3-9-17-16-8-6-5-7-14-12-18(13-15(14)16)10-11-19-4-2/h12-13,16-17H,3-11H2,1-2H3
InChIKeyWUBKGGPRYJLTLY-UHFFFAOYSA-N
XLogP3.29
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83212672) is 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CCCNC1CCCCc2cn(CCOCC)cc21.
What is the InChIKey of 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is WUBKGGPRYJLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-9-17-16-8-6-5-7-14-12-18(13-15(14)16)10-11-19-4-2/h12-13,16-17H,3-11H2,1-2H3.
What are the key properties of 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 264.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83212672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).