7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine

C19H29N3O — CID 143709211

IUPAC7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine
SMILESCC(C)(C)C1CCc2nc3cc(C=O)[nH]c3cc2C1.CCNC
InChIInChI=1S/C16H20N2O.C3H9N/c1-16(2,3)11-4-5-13-10(6-11)7-14-15(18-13)8-12(9-19)17-14;1-3-4-2/h7-9,11,17H,4-6H2,1-3H3;4H,3H2,1-2H3
InChIKeyVGWNXPVLIKFGRP-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.75
Rot. Bonds2

About 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine

7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine (PubChem CID 143709211) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine.

Molecular Properties

Compound Name7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine
PubChem CID143709211
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine
SMILESCC(C)(C)C1CCc2nc3cc(C=O)[nH]c3cc2C1.CCNC
InChIInChI=1S/C16H20N2O.C3H9N/c1-16(2,3)11-4-5-13-10(6-11)7-14-15(18-13)8-12(9-19)17-14;1-3-4-2/h7-9,11,17H,4-6H2,1-3H3;4H,3H2,1-2H3
InChIKeyVGWNXPVLIKFGRP-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
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 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine?
The IUPAC name of 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine (CID 143709211) is 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine.
What is the SMILES notation for 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine?
The canonical SMILES for 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine is CC(C)(C)C1CCc2nc3cc(C=O)[nH]c3cc2C1.CCNC.
What is the InChIKey of 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine?
The InChIKey is VGWNXPVLIKFGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.C3H9N/c1-16(2,3)11-4-5-13-10(6-11)7-14-15(18-13)8-12(9-19)17-14;1-3-4-2/h7-9,11,17H,4-6H2,1-3H3;4H,3H2,1-2H3.
What are the key properties of 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine?
7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine has a molecular weight of 315.46 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbaldehyde;N-methylethanamine is sourced from PubChem (CID 143709211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).