1-decyl-6-methylindole

C19H29N — CID 116546893

IUPAC1-decyl-6-methylindole
SMILESCCCCCCCCCCn1ccc2ccc(C)cc21
InChIInChI=1S/C19H29N/c1-3-4-5-6-7-8-9-10-14-20-15-13-18-12-11-17(2)16-19(18)20/h11-13,15-16H,3-10,14H2,1-2H3
InChIKeyPRWREBFWCSVGMN-UHFFFAOYSA-N
MW271.45 g/mol
LogP6.09
Rot. Bonds9

About 1-decyl-6-methylindole

1-decyl-6-methylindole (PubChem CID 116546893) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-decyl-6-methylindole.

Molecular Properties

Compound Name1-decyl-6-methylindole
PubChem CID116546893
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-decyl-6-methylindole
SMILESCCCCCCCCCCn1ccc2ccc(C)cc21
InChIInChI=1S/C19H29N/c1-3-4-5-6-7-8-9-10-14-20-15-13-18-12-11-17(2)16-19(18)20/h11-13,15-16H,3-10,14H2,1-2H3
InChIKeyPRWREBFWCSVGMN-UHFFFAOYSA-N
XLogP6.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1-nonylindole
CID 116619867
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
1-(3-ethoxypropyl)-6-methylindole
CID 116546661
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
1-(2-bromoethyl)-6-methylindole
CID 130577129
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
1-butyl-6-chloroindole
CID 67583801
2,2-dimethyl-5-(6-methylindol-1-yl)pentan-1-amine
CID 65253963
4-methyl-1-octylpyridin-2-one
CID 116622543
1-butylindole-6-carbaldehyde
CID 102910960
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
2-(1-butylindol-6-yl)-5,9-dimethylphenanthridin-5-ium
CID 164620764

Frequently Asked Questions

What is the IUPAC name of 1-decyl-6-methylindole?
The IUPAC name of 1-decyl-6-methylindole (CID 116546893) is 1-decyl-6-methylindole.
What is the SMILES notation for 1-decyl-6-methylindole?
The canonical SMILES for 1-decyl-6-methylindole is CCCCCCCCCCn1ccc2ccc(C)cc21.
What is the InChIKey of 1-decyl-6-methylindole?
The InChIKey is PRWREBFWCSVGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-4-5-6-7-8-9-10-14-20-15-13-18-12-11-17(2)16-19(18)20/h11-13,15-16H,3-10,14H2,1-2H3.
What are the key properties of 1-decyl-6-methylindole?
1-decyl-6-methylindole has a molecular weight of 271.45 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-6-methylindole is sourced from PubChem (CID 116546893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).