2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol

C10H21NO2 — CID 79134839

IUPAC2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)C1(CN)CCC1
InChIInChI=1S/C10H21NO2/c1-9(12,6-7-13-2)10(8-11)4-3-5-10/h12H,3-8,11H2,1-2H3
InChIKeyULICRSZDRMQPSH-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol

2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol (PubChem CID 79134839) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol
PubChem CID79134839
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)C1(CN)CCC1
InChIInChI=1S/C10H21NO2/c1-9(12,6-7-13-2)10(8-11)4-3-5-10/h12H,3-8,11H2,1-2H3
InChIKeyULICRSZDRMQPSH-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol 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

2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol
CID 80603367
2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
CID 79124394
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
CID 114835055
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]butan-2-ol
CID 79127863
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658
[1-(2-fluoropropan-2-yl)cyclohexyl]methanamine
CID 83816490
3-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybutanal
CID 79124686

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol (CID 79134839) is 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol is COCCC(C)(O)C1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol?
The InChIKey is ULICRSZDRMQPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(12,6-7-13-2)10(8-11)4-3-5-10/h12H,3-8,11H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol?
2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol is sourced from PubChem (CID 79134839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).