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

C19H29N3 — CID 143709220

IUPAC7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine
SMILESC=CNC.Cc1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C16H22N2.C3H7N/c1-10-9-17-14-8-11-7-12(16(2,3)4)5-6-13(11)18-15(10)14;1-3-4-2/h8-9,12,17H,5-7H2,1-4H3;3-4H,1H2,2H3
InChIKeyJYRFQIIZEORYES-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.37
Rot. Bonds1

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

7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine (PubChem CID 143709220) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine.

Molecular Properties

Compound Name7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine
PubChem CID143709220
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine
SMILESC=CNC.Cc1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C16H22N2.C3H7N/c1-10-9-17-14-8-11-7-12(16(2,3)4)5-6-13(11)18-15(10)14;1-3-4-2/h8-9,12,17H,5-7H2,1-4H3;3-4H,1H2,2H3
InChIKeyJYRFQIIZEORYES-UHFFFAOYSA-N
XLogP4.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine?
The IUPAC name of 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine (CID 143709220) is 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine.
What is the SMILES notation for 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine?
The canonical SMILES for 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine is C=CNC.Cc1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.
What is the InChIKey of 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine?
The InChIKey is JYRFQIIZEORYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.C3H7N/c1-10-9-17-14-8-11-7-12(16(2,3)4)5-6-13(11)18-15(10)14;1-3-4-2/h8-9,12,17H,5-7H2,1-4H3;3-4H,1H2,2H3.
What are the key properties of 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine?
7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine has a molecular weight of 299.46 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylethenamine is sourced from PubChem (CID 143709220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).