N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine

C17H28N2 — CID 115568741

IUPACN-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
SMILESCCCCCCCCNCC1Cc2ccccc2N1
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-9-12-18-14-16-13-15-10-7-8-11-17(15)19-16/h7-8,10-11,16,18-19H,2-6,9,12-14H2,1H3
InChIKeyFLRMGJZOXYOHIV-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.97
Rot. Bonds9

About N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine

N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine (PubChem CID 115568741) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
PubChem CID115568741
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
SMILESCCCCCCCCNCC1Cc2ccccc2N1
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-9-12-18-14-16-13-15-10-7-8-11-17(15)19-16/h7-8,10-11,16,18-19H,2-6,9,12-14H2,1H3
InChIKeyFLRMGJZOXYOHIV-UHFFFAOYSA-N
XLogP3.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-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

2-nonyl-2,3-dihydro-1H-indole
CID 65041926
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine
CID 54922061
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 80567501
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 80567600
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
CID 125489057

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine (CID 115568741) is N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine is CCCCCCCCNCC1Cc2ccccc2N1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine?
The InChIKey is FLRMGJZOXYOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-5-6-9-12-18-14-16-13-15-10-7-8-11-17(15)19-16/h7-8,10-11,16,18-19H,2-6,9,12-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine?
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine is sourced from PubChem (CID 115568741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).