1,1-dimethyl-2-propan-2-ylbenzo[e]indole

C17H19N — CID 146440368

IUPAC1,1-dimethyl-2-propan-2-ylbenzo[e]indole
SMILESCC(C)C1=Nc2ccc3ccccc3c2C1(C)C
InChIInChI=1S/C17H19N/c1-11(2)16-17(3,4)15-13-8-6-5-7-12(13)9-10-14(15)18-16/h5-11H,1-4H3
InChIKeyXIHIRNONJLSSLR-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.86
Rot. Bonds1

About 1,1-dimethyl-2-propan-2-ylbenzo[e]indole

1,1-dimethyl-2-propan-2-ylbenzo[e]indole (PubChem CID 146440368) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,1-dimethyl-2-propan-2-ylbenzo[e]indole.

Molecular Properties

Compound Name1,1-dimethyl-2-propan-2-ylbenzo[e]indole
PubChem CID146440368
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1,1-dimethyl-2-propan-2-ylbenzo[e]indole
SMILESCC(C)C1=Nc2ccc3ccccc3c2C1(C)C
InChIInChI=1S/C17H19N/c1-11(2)16-17(3,4)15-13-8-6-5-7-12(13)9-10-14(15)18-16/h5-11H,1-4H3
InChIKeyXIHIRNONJLSSLR-UHFFFAOYSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethylbenzo[e]indole-2-carboxylic acid;hydrochloride
CID 69037883
sulfur trioxide;1,1,2,3-tetramethylbenzo[e]indol-3-ium;1,1,2-trimethylbenzo[e]indole
CID 157452495
(2E)-2-[(2E,4E)-5-(1,1-dimethylbenzo[e]indol-2-yl)penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole
CID 90455495
2-[(E,6Z)-6-(1,1-dimethyl-3H-benzo[e]indol-2-ylidene)-2,5,5-trimethylhex-3-en-2-yl]-1,1-dimethylbenzo[e]indole
CID 144807194
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 1,1-dimethylbenzo[e]indole-2-carboxylate
CID 11619895
ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate
CID 135232507
1-chloro-2-propan-2-ylnaphthalene
CID 59606760
1-propan-2-ylphenanthrene
CID 12628671
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
4-[(E)-2-(1,1-dimethylbenzo[e]indol-2-yl)ethenyl]-N,N-diphenylaniline;4-(N-phenylanilino)benzaldehyde;1,1,2-trimethylbenzo[e]indole;hydroxide
CID 157181617

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-propan-2-ylbenzo[e]indole?
The IUPAC name of 1,1-dimethyl-2-propan-2-ylbenzo[e]indole (CID 146440368) is 1,1-dimethyl-2-propan-2-ylbenzo[e]indole.
What is the SMILES notation for 1,1-dimethyl-2-propan-2-ylbenzo[e]indole?
The canonical SMILES for 1,1-dimethyl-2-propan-2-ylbenzo[e]indole is CC(C)C1=Nc2ccc3ccccc3c2C1(C)C.
What is the InChIKey of 1,1-dimethyl-2-propan-2-ylbenzo[e]indole?
The InChIKey is XIHIRNONJLSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11(2)16-17(3,4)15-13-8-6-5-7-12(13)9-10-14(15)18-16/h5-11H,1-4H3.
What are the key properties of 1,1-dimethyl-2-propan-2-ylbenzo[e]indole?
1,1-dimethyl-2-propan-2-ylbenzo[e]indole has a molecular weight of 237.35 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-propan-2-ylbenzo[e]indole is sourced from PubChem (CID 146440368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).