N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine

C17H24N2O — CID 65165521

IUPACN-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
SMILESCNCc1cn(CCCC2CCCO2)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-18-12-14-13-19(17-9-3-2-8-16(14)17)10-4-6-15-7-5-11-20-15/h2-3,8-9,13,15,18H,4-7,10-12H2,1H3
InChIKeyDBXAXORLPXMOKB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine (PubChem CID 65165521) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
PubChem CID65165521
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
SMILESCNCc1cn(CCCC2CCCO2)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-18-12-14-13-19(17-9-3-2-8-16(14)17)10-4-6-15-7-5-11-20-15/h2-3,8-9,13,15,18H,4-7,10-12H2,1H3
InChIKeyDBXAXORLPXMOKB-UHFFFAOYSA-N
XLogP3.32
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-methyl-2-[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]ethanamine
CID 65165238
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124783754
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine (CID 65165521) is N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine is CNCc1cn(CCCC2CCCO2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine?
The InChIKey is DBXAXORLPXMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-12-14-13-19(17-9-3-2-8-16(14)17)10-4-6-15-7-5-11-20-15/h2-3,8-9,13,15,18H,4-7,10-12H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine?
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine is sourced from PubChem (CID 65165521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).