[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine

C10H21NO2 — CID 119055116

IUPAC[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
SMILESCOCCOCC1(CN)CC(C)C1
InChIInChI=1S/C10H21NO2/c1-9-5-10(6-9,7-11)8-13-4-3-12-2/h9H,3-8,11H2,1-2H3
InChIKeyJGXCYXGUSYSXBB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.02
Rot. Bonds6

About [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine

[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine (PubChem CID 119055116) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
PubChem CID119055116
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
SMILESCOCCOCC1(CN)CC(C)C1
InChIInChI=1S/C10H21NO2/c1-9-5-10(6-9,7-11)8-13-4-3-12-2/h9H,3-8,11H2,1-2H3
InChIKeyJGXCYXGUSYSXBB-UHFFFAOYSA-N
XLogP1.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 104566815
[1-(propoxymethyl)cyclopropyl]methanamine
CID 84762802
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine
CID 120999976
1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 62542038
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
CID 165442803
cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol
CID 75368118
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
CID 113426894
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447736

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine (CID 119055116) is [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine is COCCOCC1(CN)CC(C)C1.
What is the InChIKey of [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine?
The InChIKey is JGXCYXGUSYSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9-5-10(6-9,7-11)8-13-4-3-12-2/h9H,3-8,11H2,1-2H3.
What are the key properties of [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine?
[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine has a molecular weight of 187.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 119055116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).