2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine

C16H24N2 — CID 82497725

IUPAC2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(C)c1ccc2[nH]cc(C(C)(C)CN)c2c1
InChIInChI=1S/C16H24N2/c1-15(2,3)11-6-7-14-12(8-11)13(9-18-14)16(4,5)10-17/h6-9,18H,10,17H2,1-5H3
InChIKeyOAZBDSZHWCFDAY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.70
Rot. Bonds2

About 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine

2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine (PubChem CID 82497725) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
PubChem CID82497725
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(C)c1ccc2[nH]cc(C(C)(C)CN)c2c1
InChIInChI=1S/C16H24N2/c1-15(2,3)11-6-7-14-12(8-11)13(9-18-14)16(4,5)10-17/h6-9,18H,10,17H2,1-5H3
InChIKeyOAZBDSZHWCFDAY-UHFFFAOYSA-N
XLogP3.70
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 174508163
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
5-tert-butyl-3-pentan-2-yl-1H-indole
CID 106985614
2-(5-tert-butyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82497815
2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82493165
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
CID 84632317
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine (CID 82497725) is 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine is CC(C)(C)c1ccc2[nH]cc(C(C)(C)CN)c2c1.
What is the InChIKey of 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The InChIKey is OAZBDSZHWCFDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)11-6-7-14-12(8-11)13(9-18-14)16(4,5)10-17/h6-9,18H,10,17H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine?
2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82497725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).