2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine

C16H22N2O — CID 116875329

IUPAC2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
SMILESCCC(CN)C1(c2cn(C)c3ccccc23)COC1
InChIInChI=1S/C16H22N2O/c1-3-12(8-17)16(10-19-11-16)14-9-18(2)15-7-5-4-6-13(14)15/h4-7,9,12H,3,8,10-11,17H2,1-2H3
InChIKeyIGPAINRZSZVWSG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.43
Rot. Bonds4

About 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine

2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine (PubChem CID 116875329) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
PubChem CID116875329
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
SMILESCCC(CN)C1(c2cn(C)c3ccccc23)COC1
InChIInChI=1S/C16H22N2O/c1-3-12(8-17)16(10-19-11-16)14-9-18(2)15-7-5-4-6-13(14)15/h4-7,9,12H,3,8,10-11,17H2,1-2H3
InChIKeyIGPAINRZSZVWSG-UHFFFAOYSA-N
XLogP2.43
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
CID 116872061
3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
CID 116872351
1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol
CID 116875298
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
2-[1-(1-methylindol-3-yl)cyclopropyl]propan-2-amine
CID 83673846

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine?
The IUPAC name of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine (CID 116875329) is 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine?
The canonical SMILES for 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine is CCC(CN)C1(c2cn(C)c3ccccc23)COC1.
What is the InChIKey of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine?
The InChIKey is IGPAINRZSZVWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-12(8-17)16(10-19-11-16)14-9-18(2)15-7-5-4-6-13(14)15/h4-7,9,12H,3,8,10-11,17H2,1-2H3.
What are the key properties of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine?
2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine is sourced from PubChem (CID 116875329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).