3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol

C16H23N3O — CID 2859779

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol
SMILESCN(C)CC(C)(C)C/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-16(2,11-19(3)4)10-17-9-13-12-7-5-6-8-14(12)18-15(13)20/h5-9,18,20H,10-11H2,1-4H3/b17-9+
InChIKeyHRDRHJARSLHCBK-RQZCQDPDSA-N
MW273.38 g/mol
LogP2.88
Rot. Bonds5

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol

3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol (PubChem CID 2859779) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol
PubChem CID2859779
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol
SMILESCN(C)CC(C)(C)C/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-16(2,11-19(3)4)10-17-9-13-12-7-5-6-8-14(12)18-15(13)20/h5-9,18,20H,10-11H2,1-4H3/b17-9+
InChIKeyHRDRHJARSLHCBK-RQZCQDPDSA-N
XLogP2.88
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol (CID 2859779) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol is CN(C)CC(C)(C)C/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is HRDRHJARSLHCBK-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,11-19(3)4)10-17-9-13-12-7-5-6-8-14(12)18-15(13)20/h5-9,18,20H,10-11H2,1-4H3/b17-9+.
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2859779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).