1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol

C8H17NO2 — CID 106824789

IUPAC1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(CCN)C1
InChIInChI=1S/C8H17NO2/c1-2-11-7-5-8(10,6-7)3-4-9/h7,10H,2-6,9H2,1H3
InChIKeyBESRWSGHKPQSBO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.27
Rot. Bonds4

About 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol

1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol (PubChem CID 106824789) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
PubChem CID106824789
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(CCN)C1
InChIInChI=1S/C8H17NO2/c1-2-11-7-5-8(10,6-7)3-4-9/h7,10H,2-6,9H2,1H3
InChIKeyBESRWSGHKPQSBO-UHFFFAOYSA-N
XLogP0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
CID 106823216
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
CID 106825166
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123
1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329
1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823500
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
CID 106824103
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823344

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol (CID 106824789) is 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(CCN)C1.
What is the InChIKey of 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol?
The InChIKey is BESRWSGHKPQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-11-7-5-8(10,6-7)3-4-9/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol?
1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106824789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).