(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol

C9H19NO2 — CID 75524980

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
SMILESCCOC1CC(N)(CO)C1(C)C
InChIInChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3
InChIKeyKSRDNDHHDJLQFR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds3

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol (PubChem CID 75524980) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
PubChem CID75524980
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
SMILESCCOC1CC(N)(CO)C1(C)C
InChIInChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3
InChIKeyKSRDNDHHDJLQFR-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol (CID 75524980) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol is CCOC1CC(N)(CO)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol?
The InChIKey is KSRDNDHHDJLQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol is sourced from PubChem (CID 75524980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).