5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole

C17H23N — CID 170014005

IUPAC5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2c(CC=C(C)C)cc(C)cc12
InChIInChI=1S/C17H23N/c1-5-6-15-11-18-17-14(8-7-12(2)3)9-13(4)10-16(15)17/h7,9-11,18H,5-6,8H2,1-4H3
InChIKeyDTYPZODXKAUXNR-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.94
Rot. Bonds4

About 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole

5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole (PubChem CID 170014005) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole.

Molecular Properties

Compound Name5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole
PubChem CID170014005
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2c(CC=C(C)C)cc(C)cc12
InChIInChI=1S/C17H23N/c1-5-6-15-11-18-17-14(8-7-12(2)3)9-13(4)10-16(15)17/h7,9-11,18H,5-6,8H2,1-4H3
InChIKeyDTYPZODXKAUXNR-UHFFFAOYSA-N
XLogP4.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014015
6-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014016
5-chloro-7-methyl-3-propyl-1H-indole
CID 91802279
5-ethyl-3-propyl-1H-indole-7-carboxylic acid
CID 83946544
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 168840392
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine
CID 18702285
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one
CID 21360695
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The IUPAC name of 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole (CID 170014005) is 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole.
What is the SMILES notation for 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The canonical SMILES for 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole is CCCc1c[nH]c2c(CC=C(C)C)cc(C)cc12.
What is the InChIKey of 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The InChIKey is DTYPZODXKAUXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-5-6-15-11-18-17-14(8-7-12(2)3)9-13(4)10-16(15)17/h7,9-11,18H,5-6,8H2,1-4H3.
What are the key properties of 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole?
5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole has a molecular weight of 241.38 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole is sourced from PubChem (CID 170014005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).