1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine

C12H25NO2 — CID 103169770

IUPAC1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine
SMILESCCOC1CC(CC(N)CCCOC)C1
InChIInChI=1S/C12H25NO2/c1-3-15-12-8-10(9-12)7-11(13)5-4-6-14-2/h10-12H,3-9,13H2,1-2H3
InChIKeyFZFNJWWNQIJPBX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds8

About 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine

1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine (PubChem CID 103169770) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine
PubChem CID103169770
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine
SMILESCCOC1CC(CC(N)CCCOC)C1
InChIInChI=1S/C12H25NO2/c1-3-15-12-8-10(9-12)7-11(13)5-4-6-14-2/h10-12H,3-9,13H2,1-2H3
InChIKeyFZFNJWWNQIJPBX-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
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-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
1-(3-ethoxycyclobutyl)-3-phenylpropan-2-amine
CID 103164095
1-methoxyheptan-4-amine
CID 43370439
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107
1-methoxy-7-methyloctan-4-amine
CID 62603924
1-(3-ethoxycyclobutyl)-3-(furan-2-yl)propan-2-amine
CID 103169378
(2S)-5-methoxypentan-2-amine
CID 93315322
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168394
1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168436
1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol
CID 103170113

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine (CID 103169770) is 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine is CCOC1CC(CC(N)CCCOC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine?
The InChIKey is FZFNJWWNQIJPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-15-12-8-10(9-12)7-11(13)5-4-6-14-2/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine?
1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine is sourced from PubChem (CID 103169770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).