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

C17H26N2O — CID 102916969

IUPAC4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
SMILESCC(O)CCn1ccc2ccc(CNC(C)(C)C)cc21
InChIInChI=1S/C17H26N2O/c1-13(20)7-9-19-10-8-15-6-5-14(11-16(15)19)12-18-17(2,3)4/h5-6,8,10-11,13,18,20H,7,9,12H2,1-4H3
InChIKeyUREPHKBMDWDWIQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds5

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

4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol (PubChem CID 102916969) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
PubChem CID102916969
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
SMILESCC(O)CCn1ccc2ccc(CNC(C)(C)C)cc21
InChIInChI=1S/C17H26N2O/c1-13(20)7-9-19-10-8-15-6-5-14(11-16(15)19)12-18-17(2,3)4/h5-6,8,10-11,13,18,20H,7,9,12H2,1-4H3
InChIKeyUREPHKBMDWDWIQ-UHFFFAOYSA-N
XLogP3.30
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102916956
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102915190
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
CID 102916820
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
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
The IUPAC name of 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol (CID 102916969) is 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol.
What is the SMILES notation for 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
The canonical SMILES for 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol is CC(O)CCn1ccc2ccc(CNC(C)(C)C)cc21.
What is the InChIKey of 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
The InChIKey is UREPHKBMDWDWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(20)7-9-19-10-8-15-6-5-14(11-16(15)19)12-18-17(2,3)4/h5-6,8,10-11,13,18,20H,7,9,12H2,1-4H3.
What are the key properties of 4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol?
4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 3.30, 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]butan-2-ol is sourced from PubChem (CID 102916969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).