3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole

C15H20N2 — CID 84740647

IUPAC3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c3c(n(C)c2c1)CC(C)(C)NC3
InChIInChI=1S/C15H20N2/c1-10-5-6-11-12-9-16-15(2,3)8-14(12)17(4)13(11)7-10/h5-7,16H,8-9H2,1-4H3
InChIKeyVRFMKXZVMWFSNB-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.91
Rot. Bonds

About 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole

3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 84740647) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID84740647
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c3c(n(C)c2c1)CC(C)(C)NC3
InChIInChI=1S/C15H20N2/c1-10-5-6-11-12-9-16-15(2,3)8-14(12)17(4)13(11)7-10/h5-7,16H,8-9H2,1-4H3
InChIKeyVRFMKXZVMWFSNB-UHFFFAOYSA-N
XLogP2.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole (CID 84740647) is 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c3c(n(C)c2c1)CC(C)(C)NC3.
What is the InChIKey of 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is VRFMKXZVMWFSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-5-6-11-12-9-16-15(2,3)8-14(12)17(4)13(11)7-10/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 228.34 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,7-tetramethyl-2,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 84740647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).