2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol

C14H21NO — CID 118050153

IUPAC2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol
SMILESCCC(CO)N1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H21NO/c1-4-11(9-16)15-10-14(2,3)12-7-5-6-8-13(12)15/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyOICZTRVXTVVOSU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds3

About 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol

2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol (PubChem CID 118050153) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol
PubChem CID118050153
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol
SMILESCCC(CO)N1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H21NO/c1-4-11(9-16)15-10-14(2,3)12-7-5-6-8-13(12)15/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyOICZTRVXTVVOSU-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol?
The IUPAC name of 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol (CID 118050153) is 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol?
The canonical SMILES for 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol is CCC(CO)N1CC(C)(C)c2ccccc21.
What is the InChIKey of 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol?
The InChIKey is OICZTRVXTVVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11(9-16)15-10-14(2,3)12-7-5-6-8-13(12)15/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol?
2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol is sourced from PubChem (CID 118050153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).