3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol

C15H20N2O — CID 117171699

IUPAC3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol
SMILESCCn1cc(CNC2CCC2)c2c(O)cccc21
InChIInChI=1S/C15H20N2O/c1-2-17-10-11(9-16-12-5-3-6-12)15-13(17)7-4-8-14(15)18/h4,7-8,10,12,16,18H,2-3,5-6,9H2,1H3
InChIKeyBVTXRGLBDBXPKA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.01
Rot. Bonds4

About 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol

3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol (PubChem CID 117171699) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol.

Molecular Properties

Compound Name3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol
PubChem CID117171699
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol
SMILESCCn1cc(CNC2CCC2)c2c(O)cccc21
InChIInChI=1S/C15H20N2O/c1-2-17-10-11(9-16-12-5-3-6-12)15-13(17)7-4-8-14(15)18/h4,7-8,10,12,16,18H,2-3,5-6,9H2,1H3
InChIKeyBVTXRGLBDBXPKA-UHFFFAOYSA-N
XLogP3.01
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
CID 117171709
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
CID 117178816
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol
CID 117170251
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
CID 117171695
N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
CID 59494491
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol?
The IUPAC name of 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol (CID 117171699) is 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol.
What is the SMILES notation for 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol?
The canonical SMILES for 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol is CCn1cc(CNC2CCC2)c2c(O)cccc21.
What is the InChIKey of 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol?
The InChIKey is BVTXRGLBDBXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-17-10-11(9-16-12-5-3-6-12)15-13(17)7-4-8-14(15)18/h4,7-8,10,12,16,18H,2-3,5-6,9H2,1H3.
What are the key properties of 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol?
3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol has a molecular weight of 244.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol is sourced from PubChem (CID 117171699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).