2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole

C15H21N3 — CID 90917557

IUPAC2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
SMILESCC(c1cc2ccccc2[nH]1)N1CCCNCC1
InChIInChI=1S/C15H21N3/c1-12(18-9-4-7-16-8-10-18)15-11-13-5-2-3-6-14(13)17-15/h2-3,5-6,11-12,16-17H,4,7-10H2,1H3
InChIKeyRLISNMQMEQQCOS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds2

About 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole

2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole (PubChem CID 90917557) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
PubChem CID90917557
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
SMILESCC(c1cc2ccccc2[nH]1)N1CCCNCC1
InChIInChI=1S/C15H21N3/c1-12(18-9-4-7-16-8-10-18)15-11-13-5-2-3-6-14(13)17-15/h2-3,5-6,11-12,16-17H,4,7-10H2,1H3
InChIKeyRLISNMQMEQQCOS-UHFFFAOYSA-N
XLogP2.52
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(1,4-diazepan-1-yl)ethyl]-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

2-(1-piperazin-1-ylethyl)-1H-indole
CID 116995173
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
2-(1-piperidin-1-ylprop-2-enyl)-1H-indole
CID 67660412
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
5-[1-(1,4-diazepan-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 82500606
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
4-[1-(1,4-diazepan-1-yl)ethyl]phenol
CID 61057495
1-[1-(2,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 3830311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole?
The IUPAC name of 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole (CID 90917557) is 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole?
The canonical SMILES for 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole is CC(c1cc2ccccc2[nH]1)N1CCCNCC1.
What is the InChIKey of 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole?
The InChIKey is RLISNMQMEQQCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(18-9-4-7-16-8-10-18)15-11-13-5-2-3-6-14(13)17-15/h2-3,5-6,11-12,16-17H,4,7-10H2,1H3.
What are the key properties of 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole?
2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 90917557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).