2-[(cyclobutylamino)methyl]-1-methylindol-5-ol

C14H18N2O — CID 117176588

IUPAC2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
SMILESCn1c(CNC2CCC2)cc2cc(O)ccc21
InChIInChI=1S/C14H18N2O/c1-16-12(9-15-11-3-2-4-11)7-10-8-13(17)5-6-14(10)16/h5-8,11,15,17H,2-4,9H2,1H3
InChIKeyXKWAIQGMHXXWMW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds3

About 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol

2-[(cyclobutylamino)methyl]-1-methylindol-5-ol (PubChem CID 117176588) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
PubChem CID117176588
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
SMILESCn1c(CNC2CCC2)cc2cc(O)ccc21
InChIInChI=1S/C14H18N2O/c1-16-12(9-15-11-3-2-4-11)7-10-8-13(17)5-6-14(10)16/h5-8,11,15,17H,2-4,9H2,1H3
InChIKeyXKWAIQGMHXXWMW-UHFFFAOYSA-N
XLogP2.53
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol?
The IUPAC name of 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol (CID 117176588) is 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol?
The canonical SMILES for 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol is Cn1c(CNC2CCC2)cc2cc(O)ccc21.
What is the InChIKey of 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol?
The InChIKey is XKWAIQGMHXXWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-12(9-15-11-3-2-4-11)7-10-8-13(17)5-6-14(10)16/h5-8,11,15,17H,2-4,9H2,1H3.
What are the key properties of 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol?
2-[(cyclobutylamino)methyl]-1-methylindol-5-ol has a molecular weight of 230.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]-1-methylindol-5-ol is sourced from PubChem (CID 117176588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).