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

C17H24N2O — CID 119027030

IUPAC1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
SMILESCCCn1cc(CNCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-9-19-13-14(16-7-3-4-8-17(16)19)11-18-12-15-6-5-10-20-15/h3-4,7-8,13,15,18H,2,5-6,9-12H2,1H3
InChIKeyGQYLHCUDGYUPNX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.32
Rot. Bonds6

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

1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine (PubChem CID 119027030) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
PubChem CID119027030
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
SMILESCCCn1cc(CNCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-9-19-13-14(16-7-3-4-8-17(16)19)11-18-12-15-6-5-10-20-15/h3-4,7-8,13,15,18H,2,5-6,9-12H2,1H3
InChIKeyGQYLHCUDGYUPNX-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-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
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
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124895108
N-methyl-2-[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]ethanamine
CID 65165238
N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 107235527
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine (CID 119027030) is 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine is CCCn1cc(CNCC2CCCO2)c2ccccc21.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine?
The InChIKey is GQYLHCUDGYUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-9-19-13-14(16-7-3-4-8-17(16)19)11-18-12-15-6-5-10-20-15/h3-4,7-8,13,15,18H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine?
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]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 1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine is sourced from PubChem (CID 119027030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).