3-(dipropylamino)propyl cyclopentene-1-carboxylate

C15H27NO2 — CID 99800467

IUPAC3-(dipropylamino)propyl cyclopentene-1-carboxylate
SMILESCCCN(CCC)CCCOC(=O)C1=CCCC1
InChIInChI=1S/C15H27NO2/c1-3-10-16(11-4-2)12-7-13-18-15(17)14-8-5-6-9-14/h8H,3-7,9-13H2,1-2H3
InChIKeyHLBBRHXNLNUNAJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds9

About 3-(dipropylamino)propyl cyclopentene-1-carboxylate

3-(dipropylamino)propyl cyclopentene-1-carboxylate (PubChem CID 99800467) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(dipropylamino)propyl cyclopentene-1-carboxylate.

Molecular Properties

Compound Name3-(dipropylamino)propyl cyclopentene-1-carboxylate
PubChem CID99800467
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-(dipropylamino)propyl cyclopentene-1-carboxylate
SMILESCCCN(CCC)CCCOC(=O)C1=CCCC1
InChIInChI=1S/C15H27NO2/c1-3-10-16(11-4-2)12-7-13-18-15(17)14-8-5-6-9-14/h8H,3-7,9-13H2,1-2H3
InChIKeyHLBBRHXNLNUNAJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
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 3-(dipropylamino)propyl cyclopentene-1-carboxylate?
The IUPAC name of 3-(dipropylamino)propyl cyclopentene-1-carboxylate (CID 99800467) is 3-(dipropylamino)propyl cyclopentene-1-carboxylate.
What is the SMILES notation for 3-(dipropylamino)propyl cyclopentene-1-carboxylate?
The canonical SMILES for 3-(dipropylamino)propyl cyclopentene-1-carboxylate is CCCN(CCC)CCCOC(=O)C1=CCCC1.
What is the InChIKey of 3-(dipropylamino)propyl cyclopentene-1-carboxylate?
The InChIKey is HLBBRHXNLNUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-10-16(11-4-2)12-7-13-18-15(17)14-8-5-6-9-14/h8H,3-7,9-13H2,1-2H3.
What are the key properties of 3-(dipropylamino)propyl cyclopentene-1-carboxylate?
3-(dipropylamino)propyl cyclopentene-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)propyl cyclopentene-1-carboxylate is sourced from PubChem (CID 99800467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).