2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine

C13H19ClN2O — CID 64850540

IUPAC2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
SMILESCCOC1CC(Nc2cccnc2Cl)C1(C)C
InChIInChI=1S/C13H19ClN2O/c1-4-17-11-8-10(13(11,2)3)16-9-6-5-7-15-12(9)14/h5-7,10-11,16H,4,8H2,1-3H3
InChIKeyOPYADQGGMLPZAO-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.35
Rot. Bonds4

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

2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine (PubChem CID 64850540) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
PubChem CID64850540
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
SMILESCCOC1CC(Nc2cccnc2Cl)C1(C)C
InChIInChI=1S/C13H19ClN2O/c1-4-17-11-8-10(13(11,2)3)16-9-6-5-7-15-12(9)14/h5-7,10-11,16H,4,8H2,1-3H3
InChIKeyOPYADQGGMLPZAO-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine (CID 64850540) is 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine is CCOC1CC(Nc2cccnc2Cl)C1(C)C.
What is the InChIKey of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
The InChIKey is OPYADQGGMLPZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-17-11-8-10(13(11,2)3)16-9-6-5-7-15-12(9)14/h5-7,10-11,16H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine?
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine is sourced from PubChem (CID 64850540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).