4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole

C17H26N2 — CID 115105473

IUPAC4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
SMILESc1cc(CCCN2CCCCCC2)c2c(c1)NCC2
InChIInChI=1S/C17H26N2/c1-2-4-13-19(12-3-1)14-6-8-15-7-5-9-17-16(15)10-11-18-17/h5,7,9,18H,1-4,6,8,10-14H2
InChIKeyRAIVCLINVKXUDQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.46
Rot. Bonds4

About 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole

4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole (PubChem CID 115105473) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
PubChem CID115105473
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
SMILESc1cc(CCCN2CCCCCC2)c2c(c1)NCC2
InChIInChI=1S/C17H26N2/c1-2-4-13-19(12-3-1)14-6-8-15-7-5-9-17-16(15)10-11-18-17/h5,7,9,18H,1-4,6,8,10-14H2
InChIKeyRAIVCLINVKXUDQ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-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

4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
CID 167181499
1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
CID 115105355
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 10358078
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 70931130
4-[3-(2,3-dihydro-1H-indol-7-yl)propyl]morpholine
CID 115105401
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 11567753
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
N-cyclobutyl-3-(2,3-dihydro-1H-indol-4-yl)propanamide
CID 115105482

Frequently Asked Questions

What is the IUPAC name of 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole?
The IUPAC name of 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole (CID 115105473) is 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole is c1cc(CCCN2CCCCCC2)c2c(c1)NCC2.
What is the InChIKey of 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole?
The InChIKey is RAIVCLINVKXUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-13-19(12-3-1)14-6-8-15-7-5-9-17-16(15)10-11-18-17/h5,7,9,18H,1-4,6,8,10-14H2.
What are the key properties of 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole?
4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole has a molecular weight of 258.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115105473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).