3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole

C14H19N — CID 102087402

IUPAC3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole
SMILESC=C(C)CN1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H19N/c1-11(2)9-15-10-14(3,4)12-7-5-6-8-13(12)15/h5-8H,1,9-10H2,2-4H3
InChIKeyNVWVOKNCTODBKN-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.36
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole

3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole (PubChem CID 102087402) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole
PubChem CID102087402
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole
SMILESC=C(C)CN1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H19N/c1-11(2)9-15-10-14(3,4)12-7-5-6-8-13(12)15/h5-8H,1,9-10H2,2-4H3
InChIKeyNVWVOKNCTODBKN-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
CID 83752978
3,3-dimethyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2H-indole
CID 144748134
2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235614
2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol
CID 118050153
1-[(4,4-dimethyl-2H-3,1-benzoxazin-1-yl)methyl]-4,4-dimethyl-2H-3,1-benzoxazine
CID 134105591
1-butyl-4,4-dimethyl-2,3-dihydroquinoline
CID 167020051
3,3-difluoro-1-[(2-methyloxiran-2-yl)methyl]-2H-indole
CID 141088156
ethyl 3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropanoate
CID 11065222
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 58838563
1,4,4-trimethyl-3H-quinolin-2-one
CID 14010251
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole?
The IUPAC name of 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole (CID 102087402) is 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole?
The canonical SMILES for 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole is C=C(C)CN1CC(C)(C)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole?
The InChIKey is NVWVOKNCTODBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)9-15-10-14(3,4)12-7-5-6-8-13(12)15/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole?
3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole has a molecular weight of 201.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylprop-2-enyl)-2H-indole is sourced from PubChem (CID 102087402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).