2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole

C15H21N3 — CID 54528949

IUPAC2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole
SMILESCc1cc2ccc(N3CCCN(C)CC3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-12-10-13-4-5-14(11-15(13)16-12)18-7-3-6-17(2)8-9-18/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyWAQWNMHCBFCZQX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds1

About 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole

2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole (PubChem CID 54528949) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole
PubChem CID54528949
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole
SMILESCc1cc2ccc(N3CCCN(C)CC3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-12-10-13-4-5-14(11-15(13)16-12)18-7-3-6-17(2)8-9-18/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyWAQWNMHCBFCZQX-UHFFFAOYSA-N
XLogP2.62
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535
2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen
CID 178164940
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215343
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 83972146
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
The IUPAC name of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole (CID 54528949) is 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole.
What is the SMILES notation for 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
The canonical SMILES for 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole is Cc1cc2ccc(N3CCCN(C)CC3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
The InChIKey is WAQWNMHCBFCZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-10-13-4-5-14(11-15(13)16-12)18-7-3-6-17(2)8-9-18/h4-5,10-11,16H,3,6-9H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole is sourced from PubChem (CID 54528949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).