1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine

C12H25NO2 — CID 103169090

IUPAC1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine
SMILESCCCOCC(N)CC1CC(OCC)C1
InChIInChI=1S/C12H25NO2/c1-3-5-14-9-11(13)6-10-7-12(8-10)15-4-2/h10-12H,3-9,13H2,1-2H3
InChIKeyAEINXJCPAIWKSO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds8

About 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine

1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine (PubChem CID 103169090) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine
PubChem CID103169090
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine
SMILESCCCOCC(N)CC1CC(OCC)C1
InChIInChI=1S/C12H25NO2/c1-3-5-14-9-11(13)6-10-7-12(8-10)15-4-2/h10-12H,3-9,13H2,1-2H3
InChIKeyAEINXJCPAIWKSO-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine (CID 103169090) is 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine is CCCOCC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine?
The InChIKey is AEINXJCPAIWKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-14-9-11(13)6-10-7-12(8-10)15-4-2/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-propoxypropan-2-amine?
1-(3-ethoxycyclobutyl)-3-propoxypropan-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)-3-propoxypropan-2-amine is sourced from PubChem (CID 103169090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).