4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol

C18H28N2O — CID 102916956

IUPAC4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ccc2ccc(CNC(C)(C)C)cc21
InChIInChI=1S/C18H28N2O/c1-17(2,3)19-13-14-6-7-15-8-10-20(16(15)12-14)11-9-18(4,5)21/h6-8,10,12,19,21H,9,11,13H2,1-5H3
InChIKeyIMMRFFNFKZCELY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.69
Rot. Bonds5

About 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol

4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol (PubChem CID 102916956) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
PubChem CID102916956
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ccc2ccc(CNC(C)(C)C)cc21
InChIInChI=1S/C18H28N2O/c1-17(2,3)19-13-14-6-7-15-8-10-20(16(15)12-14)11-9-18(4,5)21/h6-8,10,12,19,21H,9,11,13H2,1-5H3
InChIKeyIMMRFFNFKZCELY-UHFFFAOYSA-N
XLogP3.69
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102916969
4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102917022
4-[7-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102915153
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine
CID 66038321
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol (CID 102916956) is 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCn1ccc2ccc(CNC(C)(C)C)cc21.
What is the InChIKey of 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
The InChIKey is IMMRFFNFKZCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)19-13-14-6-7-15-8-10-20(16(15)12-14)11-9-18(4,5)21/h6-8,10,12,19,21H,9,11,13H2,1-5H3.
What are the key properties of 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol has a molecular weight of 288.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 102916956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).