3-amino-1-ethylcyclobutan-1-ol

C6H13NO — CID 80561372

IUPAC3-amino-1-ethylcyclobutan-1-ol
SMILESCCC1(O)CC(N)C1
InChIInChI=1S/C6H13NO/c1-2-6(8)3-5(7)4-6/h5,8H,2-4,7H2,1H3
InChIKeyPNAWRLVMRLMYEK-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.25
Rot. Bonds1

About 3-amino-1-ethylcyclobutan-1-ol

3-amino-1-ethylcyclobutan-1-ol (PubChem CID 80561372) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-amino-1-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-ethylcyclobutan-1-ol
PubChem CID80561372
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-amino-1-ethylcyclobutan-1-ol
SMILESCCC1(O)CC(N)C1
InChIInChI=1S/C6H13NO/c1-2-6(8)3-5(7)4-6/h5,8H,2-4,7H2,1H3
InChIKeyPNAWRLVMRLMYEK-UHFFFAOYSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylcyclobutan-1-ol?
The IUPAC name of 3-amino-1-ethylcyclobutan-1-ol (CID 80561372) is 3-amino-1-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-ethylcyclobutan-1-ol?
The canonical SMILES for 3-amino-1-ethylcyclobutan-1-ol is CCC1(O)CC(N)C1.
What is the InChIKey of 3-amino-1-ethylcyclobutan-1-ol?
The InChIKey is PNAWRLVMRLMYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-6(8)3-5(7)4-6/h5,8H,2-4,7H2,1H3.
What are the key properties of 3-amino-1-ethylcyclobutan-1-ol?
3-amino-1-ethylcyclobutan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylcyclobutan-1-ol is sourced from PubChem (CID 80561372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).