N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine

C18H26N2O — CID 65165632

IUPACN-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC2CCCO2)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-2-10-19-13-15-14-20(11-9-16-6-5-12-21-16)18-8-4-3-7-17(15)18/h3-4,7-8,14,16,19H,2,5-6,9-13H2,1H3
InChIKeyGPYVKBSVCYKRDH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.71
Rot. Bonds7

About N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine

N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine (PubChem CID 65165632) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
PubChem CID65165632
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC2CCCO2)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-2-10-19-13-15-14-20(11-9-16-6-5-12-21-16)18-8-4-3-7-17(15)18/h3-4,7-8,14,16,19H,2,5-6,9-13H2,1H3
InChIKeyGPYVKBSVCYKRDH-UHFFFAOYSA-N
XLogP3.71
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
N-methyl-2-[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]ethanamine
CID 65165238
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine (CID 65165632) is N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine is CCCNCc1cn(CCC2CCCO2)c2ccccc12.
What is the InChIKey of N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine?
The InChIKey is GPYVKBSVCYKRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-10-19-13-15-14-20(11-9-16-6-5-12-21-16)18-8-4-3-7-17(15)18/h3-4,7-8,14,16,19H,2,5-6,9-13H2,1H3.
What are the key properties of N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine?
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 65165632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).