(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde

C15H24N2O — CID 10014924

IUPAC(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
SMILESCCCN(CCC)[C@H]1CCn2c(C=O)ccc2C1
InChIInChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
InChIKeyRIOOLQVLOZQLQJ-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.74
Rot. Bonds6

About (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde

(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde (PubChem CID 10014924) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde.

Molecular Properties

Compound Name(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
PubChem CID10014924
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
SMILESCCCN(CCC)[C@H]1CCn2c(C=O)ccc2C1
InChIInChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
InChIKeyRIOOLQVLOZQLQJ-ZDUSSCGKSA-N
XLogP2.74
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
The IUPAC name of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde (CID 10014924) is (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde.
What is the SMILES notation for (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
The canonical SMILES for (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde is CCCN(CCC)[C@H]1CCn2c(C=O)ccc2C1.
What is the InChIKey of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
The InChIKey is RIOOLQVLOZQLQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde has a molecular weight of 248.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carbaldehyde is sourced from PubChem (CID 10014924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).