6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine

C13H19BrN2O — CID 114051597

IUPAC6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
SMILESCCOC1CC(Nc2ccc(Br)nc2)C1(C)C
InChIInChI=1S/C13H19BrN2O/c1-4-17-11-7-10(13(11,2)3)16-9-5-6-12(14)15-8-9/h5-6,8,10-11,16H,4,7H2,1-3H3
InChIKeyOVFVDYQAUDUPGR-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.46
Rot. Bonds4

About 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine

6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine (PubChem CID 114051597) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
PubChem CID114051597
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
SMILESCCOC1CC(Nc2ccc(Br)nc2)C1(C)C
InChIInChI=1S/C13H19BrN2O/c1-4-17-11-7-10(13(11,2)3)16-9-5-6-12(14)15-8-9/h5-6,8,10-11,16H,4,7H2,1-3H3
InChIKeyOVFVDYQAUDUPGR-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 64850342
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-6-methoxypyridin-3-amine
CID 64850574
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine
CID 66351674
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline
CID 64852505
5-bromo-4-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyrimidine-2,4-diamine
CID 114121049
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methoxypyridin-2-amine
CID 103932429
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 64850321
5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65168199

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
The IUPAC name of 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine (CID 114051597) is 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine is CCOC1CC(Nc2ccc(Br)nc2)C1(C)C.
What is the InChIKey of 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
The InChIKey is OVFVDYQAUDUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-17-11-7-10(13(11,2)3)16-9-5-6-12(14)15-8-9/h5-6,8,10-11,16H,4,7H2,1-3H3.
What are the key properties of 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine has a molecular weight of 299.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine is sourced from PubChem (CID 114051597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).