3-(azepan-4-yl)-2-methyl-1H-indole

C15H20N2 — CID 82288280

IUPAC3-(azepan-4-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CCCNCC1
InChIInChI=1S/C15H20N2/c1-11-15(12-5-4-9-16-10-8-12)13-6-2-3-7-14(13)17-11/h2-3,6-7,12,16-17H,4-5,8-10H2,1H3
InChIKeyOQNNEQSZXXMOMB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.33
Rot. Bonds1

About 3-(azepan-4-yl)-2-methyl-1H-indole

3-(azepan-4-yl)-2-methyl-1H-indole (PubChem CID 82288280) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(azepan-4-yl)-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(azepan-4-yl)-2-methyl-1H-indole
PubChem CID82288280
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(azepan-4-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CCCNCC1
InChIInChI=1S/C15H20N2/c1-11-15(12-5-4-9-16-10-8-12)13-6-2-3-7-14(13)17-11/h2-3,6-7,12,16-17H,4-5,8-10H2,1H3
InChIKeyOQNNEQSZXXMOMB-UHFFFAOYSA-N
XLogP3.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
CID 171337557
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-yl)-2-methyl-1H-indole?
The IUPAC name of 3-(azepan-4-yl)-2-methyl-1H-indole (CID 82288280) is 3-(azepan-4-yl)-2-methyl-1H-indole.
What is the SMILES notation for 3-(azepan-4-yl)-2-methyl-1H-indole?
The canonical SMILES for 3-(azepan-4-yl)-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C1CCCNCC1.
What is the InChIKey of 3-(azepan-4-yl)-2-methyl-1H-indole?
The InChIKey is OQNNEQSZXXMOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-15(12-5-4-9-16-10-8-12)13-6-2-3-7-14(13)17-11/h2-3,6-7,12,16-17H,4-5,8-10H2,1H3.
What are the key properties of 3-(azepan-4-yl)-2-methyl-1H-indole?
3-(azepan-4-yl)-2-methyl-1H-indole has a molecular weight of 228.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-yl)-2-methyl-1H-indole is sourced from PubChem (CID 82288280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).