1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole

C14H18N2 — CID 82393965

IUPAC1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
SMILESCn1c2c(c3ccccc31)CCNC2(C)C
InChIInChI=1S/C14H18N2/c1-14(2)13-11(8-9-15-14)10-6-4-5-7-12(10)16(13)3/h4-7,15H,8-9H2,1-3H3
InChIKeyOAVIUMWZLJWTEI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.56
Rot. Bonds

About 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole

1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole (PubChem CID 82393965) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
PubChem CID82393965
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
SMILESCn1c2c(c3ccccc31)CCNC2(C)C
InChIInChI=1S/C14H18N2/c1-14(2)13-11(8-9-15-14)10-6-4-5-7-12(10)16(13)3/h4-7,15H,8-9H2,1-3H3
InChIKeyOAVIUMWZLJWTEI-UHFFFAOYSA-N
XLogP2.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole
CID 3692587
1',4-dimethylspiro[1,2-dihydrocyclopenta[b]indole-3,4'-piperidine]
CID 22896575
(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole
CID 132918732
3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid
CID 129405053
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
6,9-dimethyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-pyrido[3,4-b]indole-1-carboxylic acid
CID 11794443
ethane;bis(9-methylcarbazole)
CID 159710949
4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
CID 134957407
(1R)-1-iodo-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71178701
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
2,9-dimethyl-3,4-dihydrocarbazole
CID 149373411

Frequently Asked Questions

What is the IUPAC name of 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole?
The IUPAC name of 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole (CID 82393965) is 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole.
What is the SMILES notation for 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole?
The canonical SMILES for 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole is Cn1c2c(c3ccccc31)CCNC2(C)C.
What is the InChIKey of 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole?
The InChIKey is OAVIUMWZLJWTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2)13-11(8-9-15-14)10-6-4-5-7-12(10)16(13)3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole?
1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole is sourced from PubChem (CID 82393965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).