[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol

C15H20N2O — CID 115246838

IUPAC[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol
SMILESCN(CC1(CO)CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-17(10-15(11-18)7-4-8-15)14-9-16-13-6-3-2-5-12(13)14/h2-3,5-6,9,16,18H,4,7-8,10-11H2,1H3
InChIKeyLGWPQKKSBWUXHL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.77
Rot. Bonds4

About [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol

[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol (PubChem CID 115246838) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol
PubChem CID115246838
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol
SMILESCN(CC1(CO)CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-17(10-15(11-18)7-4-8-15)14-9-16-13-6-3-2-5-12(13)14/h2-3,5-6,9,16,18H,4,7-8,10-11H2,1H3
InChIKeyLGWPQKKSBWUXHL-UHFFFAOYSA-N
XLogP2.77
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222133
N-methyl-N-(morpholin-3-ylmethyl)-1H-indol-3-amine
CID 115237942
1-fluoro-3-(1-fluorocyclobutyl)-1-(1H-indol-3-yl)-3-phenylurea
CID 170172097
N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889
3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
CID 117042352
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 166303520
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
CID 115157790
1-fluoro-3-(1-fluorocyclohexyl)-1-(1H-indol-3-yl)-3-phenylurea
CID 170171586

Frequently Asked Questions

What is the IUPAC name of [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol (CID 115246838) is [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol is CN(CC1(CO)CCC1)c1c[nH]c2ccccc12.
What is the InChIKey of [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol?
The InChIKey is LGWPQKKSBWUXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(10-15(11-18)7-4-8-15)14-9-16-13-6-3-2-5-12(13)14/h2-3,5-6,9,16,18H,4,7-8,10-11H2,1H3.
What are the key properties of [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol?
[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).