[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C23H32N2O2 — CID 24768506

IUPAC[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C
InChIInChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
InChIKeyIRTBNEISJSBZBS-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.39
Rot. Bonds5

About [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768506) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768506
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C
InChIInChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
InChIKeyIRTBNEISJSBZBS-UHFFFAOYSA-N
XLogP4.39
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768506) is [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C.
What is the InChIKey of [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is IRTBNEISJSBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3.
What are the key properties of [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 368.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).