[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine

C14H18N2O — CID 116996470

IUPAC[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine
SMILESCc1cc2cc(C3(CN)COC3)ccc2n1C
InChIInChI=1S/C14H18N2O/c1-10-5-11-6-12(3-4-13(11)16(10)2)14(7-15)8-17-9-14/h3-6H,7-9,15H2,1-2H3
InChIKeyRYCYDIXDNOMTCK-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.71
Rot. Bonds2

About [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine

[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine (PubChem CID 116996470) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine
PubChem CID116996470
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine
SMILESCc1cc2cc(C3(CN)COC3)ccc2n1C
InChIInChI=1S/C14H18N2O/c1-10-5-11-6-12(3-4-13(11)16(10)2)14(7-15)8-17-9-14/h3-6H,7-9,15H2,1-2H3
InChIKeyRYCYDIXDNOMTCK-UHFFFAOYSA-N
XLogP1.71
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine (CID 116996470) is [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine is Cc1cc2cc(C3(CN)COC3)ccc2n1C.
What is the InChIKey of [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine?
The InChIKey is RYCYDIXDNOMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-11-6-12(3-4-13(11)16(10)2)14(7-15)8-17-9-14/h3-6H,7-9,15H2,1-2H3.
What are the key properties of [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine?
[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116996470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).