3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine

C14H22N2 — CID 115105435

IUPAC3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ccc2c(c1)NCC2
InChIInChI=1S/C14H22N2/c1-11(2)15-8-3-4-12-5-6-13-7-9-16-14(13)10-12/h5-6,10-11,15-16H,3-4,7-9H2,1-2H3
InChIKeyMDTXZXPJKAPINE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.59
Rot. Bonds5

About 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine

3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 115105435) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
PubChem CID115105435
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ccc2c(c1)NCC2
InChIInChI=1S/C14H22N2/c1-11(2)15-8-3-4-12-5-6-13-7-9-16-14(13)10-12/h5-6,10-11,15-16H,3-4,7-9H2,1-2H3
InChIKeyMDTXZXPJKAPINE-UHFFFAOYSA-N
XLogP2.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine 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

N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105433
N-(2,3-dihydro-1H-indol-6-ylmethyl)hexan-2-amine
CID 113382561
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164924976
N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913648
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
1-(2,3-dihydro-1H-indol-6-yl)ethanol
CID 84651673
N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
CID 115105185

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine (CID 115105435) is 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ccc2c(c1)NCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is MDTXZXPJKAPINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)15-8-3-4-12-5-6-13-7-9-16-14(13)10-12/h5-6,10-11,15-16H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine?
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 115105435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).