[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine

C16H22N2O — CID 65165019

IUPAC[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
SMILESNCc1ccc2ccn(CCCC3CCCO3)c2c1
InChIInChI=1S/C16H22N2O/c17-12-13-5-6-14-7-9-18(16(14)11-13)8-1-3-15-4-2-10-19-15/h5-7,9,11,15H,1-4,8,10,12,17H2
InChIKeyQYQVUHAMCLHGFC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds5

About [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine

[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine (PubChem CID 65165019) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
PubChem CID65165019
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
SMILESNCc1ccc2ccn(CCCC3CCCO3)c2c1
InChIInChI=1S/C16H22N2O/c17-12-13-5-6-14-7-9-18(16(14)11-13)8-1-3-15-4-2-10-19-15/h5-7,9,11,15H,1-4,8,10,12,17H2
InChIKeyQYQVUHAMCLHGFC-UHFFFAOYSA-N
XLogP3.06
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
CID 116623986
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
CID 107917557
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
CID 102916500
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine?
The IUPAC name of [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine (CID 65165019) is [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine?
The canonical SMILES for [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine is NCc1ccc2ccn(CCCC3CCCO3)c2c1.
What is the InChIKey of [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine?
The InChIKey is QYQVUHAMCLHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-12-13-5-6-14-7-9-18(16(14)11-13)8-1-3-15-4-2-10-19-15/h5-7,9,11,15H,1-4,8,10,12,17H2.
What are the key properties of [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine?
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine is sourced from PubChem (CID 65165019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).