(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine

C13H23N3O — CID 114120917

IUPAC(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine
SMILESCCOC1CC(n2cncc2[C@@H](C)N)C1(C)C
InChIInChI=1S/C13H23N3O/c1-5-17-12-6-11(13(12,3)4)16-8-15-7-10(16)9(2)14/h7-9,11-12H,5-6,14H2,1-4H3/t9-,11?,12?/m1/s1
InChIKeyNYPPOVNWLCFVGP-OIKLOGQESA-N
MW237.35 g/mol
LogP2.28
Rot. Bonds4

About (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine (PubChem CID 114120917) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine
PubChem CID114120917
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine
SMILESCCOC1CC(n2cncc2[C@@H](C)N)C1(C)C
InChIInChI=1S/C13H23N3O/c1-5-17-12-6-11(13(12,3)4)16-8-15-7-10(16)9(2)14/h7-9,11-12H,5-6,14H2,1-4H3/t9-,11?,12?/m1/s1
InChIKeyNYPPOVNWLCFVGP-OIKLOGQESA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine (CID 114120917) is (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine is CCOC1CC(n2cncc2[C@@H](C)N)C1(C)C.
What is the InChIKey of (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine?
The InChIKey is NYPPOVNWLCFVGP-OIKLOGQESA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-17-12-6-11(13(12,3)4)16-8-15-7-10(16)9(2)14/h7-9,11-12H,5-6,14H2,1-4H3/t9-,11?,12?/m1/s1.
What are the key properties of (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114120917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).