N-octan-2-yl-1H-indol-5-amine

C16H24N2 — CID 43130007

IUPACN-octan-2-yl-1H-indol-5-amine
SMILESCCCCCCC(C)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H24N2/c1-3-4-5-6-7-13(2)18-15-8-9-16-14(12-15)10-11-17-16/h8-13,17-18H,3-7H2,1-2H3
InChIKeyYWGABHXGXAIHDM-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.94
Rot. Bonds7

About N-octan-2-yl-1H-indol-5-amine

N-octan-2-yl-1H-indol-5-amine (PubChem CID 43130007) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-octan-2-yl-1H-indol-5-amine.

Molecular Properties

Compound NameN-octan-2-yl-1H-indol-5-amine
PubChem CID43130007
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-octan-2-yl-1H-indol-5-amine
SMILESCCCCCCC(C)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H24N2/c1-3-4-5-6-7-13(2)18-15-8-9-16-14(12-15)10-11-17-16/h8-13,17-18H,3-7H2,1-2H3
InChIKeyYWGABHXGXAIHDM-UHFFFAOYSA-N
XLogP4.94
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octan-2-yl-1H-indol-5-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-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine
CID 116534107
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
N-[1-(4-propylphenyl)ethyl]-1H-indol-5-amine
CID 43103805
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43786681
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
2-amino-N-(1H-indol-5-yl)hexanamide
CID 61248761
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
6-bromo-N-hexan-2-ylnaphthalen-2-amine
CID 81259713

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-1H-indol-5-amine?
The IUPAC name of N-octan-2-yl-1H-indol-5-amine (CID 43130007) is N-octan-2-yl-1H-indol-5-amine.
What is the SMILES notation for N-octan-2-yl-1H-indol-5-amine?
The canonical SMILES for N-octan-2-yl-1H-indol-5-amine is CCCCCCC(C)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-octan-2-yl-1H-indol-5-amine?
The InChIKey is YWGABHXGXAIHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-5-6-7-13(2)18-15-8-9-16-14(12-15)10-11-17-16/h8-13,17-18H,3-7H2,1-2H3.
What are the key properties of N-octan-2-yl-1H-indol-5-amine?
N-octan-2-yl-1H-indol-5-amine has a molecular weight of 244.38 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-1H-indol-5-amine is sourced from PubChem (CID 43130007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).