5-tert-butyl-3-pentan-2-yl-1H-indole

C17H25N — CID 106985614

IUPAC5-tert-butyl-3-pentan-2-yl-1H-indole
SMILESCCCC(C)c1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H25N/c1-6-7-12(2)15-11-18-16-9-8-13(10-14(15)16)17(3,4)5/h8-12,18H,6-7H2,1-5H3
InChIKeySPUKZMGVFVPIGG-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.37
Rot. Bonds3

About 5-tert-butyl-3-pentan-2-yl-1H-indole

5-tert-butyl-3-pentan-2-yl-1H-indole (PubChem CID 106985614) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-tert-butyl-3-pentan-2-yl-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-3-pentan-2-yl-1H-indole
PubChem CID106985614
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-tert-butyl-3-pentan-2-yl-1H-indole
SMILESCCCC(C)c1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H25N/c1-6-7-12(2)15-11-18-16-9-8-13(10-14(15)16)17(3,4)5/h8-12,18H,6-7H2,1-5H3
InChIKeySPUKZMGVFVPIGG-UHFFFAOYSA-N
XLogP5.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
CID 84632317
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
CID 144814038
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82497725
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
3-tert-butyl-5-pentan-2-ylquinoline
CID 130267605

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-pentan-2-yl-1H-indole?
The IUPAC name of 5-tert-butyl-3-pentan-2-yl-1H-indole (CID 106985614) is 5-tert-butyl-3-pentan-2-yl-1H-indole.
What is the SMILES notation for 5-tert-butyl-3-pentan-2-yl-1H-indole?
The canonical SMILES for 5-tert-butyl-3-pentan-2-yl-1H-indole is CCCC(C)c1c[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 5-tert-butyl-3-pentan-2-yl-1H-indole?
The InChIKey is SPUKZMGVFVPIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-6-7-12(2)15-11-18-16-9-8-13(10-14(15)16)17(3,4)5/h8-12,18H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-3-pentan-2-yl-1H-indole?
5-tert-butyl-3-pentan-2-yl-1H-indole has a molecular weight of 243.39 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-pentan-2-yl-1H-indole is sourced from PubChem (CID 106985614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).