1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine

C10H22N2O2 — CID 106822004

IUPAC1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(CN)(NCCOC)C1
InChIInChI=1S/C10H22N2O2/c1-3-14-9-6-10(7-9,8-11)12-4-5-13-2/h9,12H,3-8,11H2,1-2H3
InChIKeyQLHYHDBVDAHTDD-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.12
Rot. Bonds7

About 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine (PubChem CID 106822004) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine
PubChem CID106822004
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(CN)(NCCOC)C1
InChIInChI=1S/C10H22N2O2/c1-3-14-9-6-10(7-9,8-11)12-4-5-13-2/h9,12H,3-8,11H2,1-2H3
InChIKeyQLHYHDBVDAHTDD-UHFFFAOYSA-N
XLogP0.12
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-Ethoxy-1-(morpholin-4-yl)cyclobutyl]methanamine
CID 86775697
1-(aminomethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 106822173
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine
CID 106822244
3-Butoxy-1-(methylaminomethyl)cyclobutan-1-amine
CID 90323044
1-(aminomethyl)-3-butoxy-N-ethylcyclobutan-1-amine
CID 90327518
3-Butoxy-1-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 90327586
N'-[(2S,4R)-2-(aminomethyl)-4-(2-methylpropoxy)cyclobutyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 155228412
4-Methoxy-2-methyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 61872160
2-(3-Ethoxypiperidin-1-yl)-4-methoxy-2-methylbutan-1-amine
CID 61872161
N-tert-butyl-4-[2-(dimethylamino)ethoxy]pentan-1-amine
CID 62458236
4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62541493
N-[2-(3-ethoxypiperidin-1-yl)ethyl]-2-methylbutan-2-amine
CID 62556737

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine (CID 106822004) is 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine is CCOC1CC(CN)(NCCOC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
The InChIKey is QLHYHDBVDAHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-14-9-6-10(7-9,8-11)12-4-5-13-2/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 106822004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).