1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole

C22H24N2 — CID 22019303

IUPAC1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
SMILESCCCC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C22H24N2/c1-4-9-16(19-14-23(2)21-12-7-5-10-17(19)21)20-15-24(3)22-13-8-6-11-18(20)22/h5-8,10-16H,4,9H2,1-3H3
InChIKeySCUJNAJPTSOPQC-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.60
Rot. Bonds4

About 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole

1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole (PubChem CID 22019303) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole.

Molecular Properties

Compound Name1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
PubChem CID22019303
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
SMILESCCCC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C22H24N2/c1-4-9-16(19-14-23(2)21-12-7-5-10-17(19)21)20-15-24(3)22-13-8-6-11-18(20)22/h5-8,10-16H,4,9H2,1-3H3
InChIKeySCUJNAJPTSOPQC-UHFFFAOYSA-N
XLogP5.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole
CID 101399617
2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
CID 102282092
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
1-methyl-3-propan-2-ylindole
CID 10942942
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole?
The IUPAC name of 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole (CID 22019303) is 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole.
What is the SMILES notation for 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole?
The canonical SMILES for 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole is CCCC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole?
The InChIKey is SCUJNAJPTSOPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-4-9-16(19-14-23(2)21-12-7-5-10-17(19)21)20-15-24(3)22-13-8-6-11-18(20)22/h5-8,10-16H,4,9H2,1-3H3.
What are the key properties of 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole?
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole has a molecular weight of 316.45 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole is sourced from PubChem (CID 22019303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).