3-butan-2-yl-2-butyl-1-methylindole

C17H25N — CID 134480069

IUPAC3-butan-2-yl-2-butyl-1-methylindole
SMILESCCCCc1c(C(C)CC)c2ccccc2n1C
InChIInChI=1S/C17H25N/c1-5-7-11-16-17(13(3)6-2)14-10-8-9-12-15(14)18(16)4/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyUNCFXMKGFBSOQS-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.03
Rot. Bonds5

About 3-butan-2-yl-2-butyl-1-methylindole

3-butan-2-yl-2-butyl-1-methylindole (PubChem CID 134480069) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-butan-2-yl-2-butyl-1-methylindole.

Molecular Properties

Compound Name3-butan-2-yl-2-butyl-1-methylindole
PubChem CID134480069
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-butan-2-yl-2-butyl-1-methylindole
SMILESCCCCc1c(C(C)CC)c2ccccc2n1C
InChIInChI=1S/C17H25N/c1-5-7-11-16-17(13(3)6-2)14-10-8-9-12-15(14)18(16)4/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyUNCFXMKGFBSOQS-UHFFFAOYSA-N
XLogP5.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-tridecylindole
CID 122371242
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533
methyl 3-but-3-en-2-yl-2-butylindole-1-carboxylate
CID 14066673
10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 145177333
2-heptyl-1-methyl-3-[(E)-2-phenylethenyl]quinolin-4-one
CID 102053069
3-butan-2-yl-1,2-dimethylphenanthro[9,10-b]pyrrole
CID 170201440
2-butyl-1-methyl-5-nitro-3-phenylindole
CID 158637734
5-methyl-3-octylpyrido[4,3-b]indole
CID 11426410
1-methyl-3-pentyl-2-phenylindole
CID 102287854
3-decyl-1-methylindole
CID 10802084

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-butyl-1-methylindole?
The IUPAC name of 3-butan-2-yl-2-butyl-1-methylindole (CID 134480069) is 3-butan-2-yl-2-butyl-1-methylindole.
What is the SMILES notation for 3-butan-2-yl-2-butyl-1-methylindole?
The canonical SMILES for 3-butan-2-yl-2-butyl-1-methylindole is CCCCc1c(C(C)CC)c2ccccc2n1C.
What is the InChIKey of 3-butan-2-yl-2-butyl-1-methylindole?
The InChIKey is UNCFXMKGFBSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-7-11-16-17(13(3)6-2)14-10-8-9-12-15(14)18(16)4/h8-10,12-13H,5-7,11H2,1-4H3.
What are the key properties of 3-butan-2-yl-2-butyl-1-methylindole?
3-butan-2-yl-2-butyl-1-methylindole has a molecular weight of 243.39 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-butyl-1-methylindole is sourced from PubChem (CID 134480069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).