3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol

C15H22N2O — CID 70557658

IUPAC3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol
SMILESCC(C)(C)N(CCCO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-15(2,3)17(9-6-10-18)14-11-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,16,18H,6,9-10H2,1-3H3
InChIKeyVKCJYAUOCUOTRY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.16
Rot. Bonds4

About 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol

3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol (PubChem CID 70557658) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol
PubChem CID70557658
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol
SMILESCC(C)(C)N(CCCO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-15(2,3)17(9-6-10-18)14-11-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,16,18H,6,9-10H2,1-3H3
InChIKeyVKCJYAUOCUOTRY-UHFFFAOYSA-N
XLogP3.16
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889
3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
CID 117042352
5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222133
3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115134328
1,1-bis(1H-indol-3-yl)urea
CID 57486091
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
CID 115157790
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol
CID 115246838
2-[[1H-indol-3-yl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250269
5-(1H-indol-3-yl)heptan-1-ol
CID 141488119

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol (CID 70557658) is 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol is CC(C)(C)N(CCCO)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol?
The InChIKey is VKCJYAUOCUOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)17(9-6-10-18)14-11-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,16,18H,6,9-10H2,1-3H3.
What are the key properties of 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol?
3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol is sourced from PubChem (CID 70557658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).