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

C19H29N3 — CID 143709160

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine
SMILESC=Cc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CNC
InChIInChI=1S/C17H22N2.C2H7N/c1-5-13-10-16-15(18-13)9-11-8-12(17(2,3)4)6-7-14(11)19-16;1-3-2/h5,9-10,12,18H,1,6-8H2,2-4H3;3H,1-2H3
InChIKeyNNYIZBFUANVHLU-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.19
Rot. Bonds1

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

7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine (PubChem CID 143709160) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine.

Molecular Properties

Compound Name7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine
PubChem CID143709160
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine
SMILESC=Cc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CNC
InChIInChI=1S/C17H22N2.C2H7N/c1-5-13-10-16-15(18-13)9-11-8-12(17(2,3)4)6-7-14(11)19-16;1-3-2/h5,9-10,12,18H,1,6-8H2,2-4H3;3H,1-2H3
InChIKeyNNYIZBFUANVHLU-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine?
The IUPAC name of 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine (CID 143709160) is 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine.
What is the SMILES notation for 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine?
The canonical SMILES for 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine is C=Cc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CNC.
What is the InChIKey of 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine?
The InChIKey is NNYIZBFUANVHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C2H7N/c1-5-13-10-16-15(18-13)9-11-8-12(17(2,3)4)6-7-14(11)19-16;1-3-2/h5,9-10,12,18H,1,6-8H2,2-4H3;3H,1-2H3.
What are the key properties of 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine?
7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine has a molecular weight of 299.46 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine is sourced from PubChem (CID 143709160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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