N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine

C12H20N2O2 — CID 138648270

IUPACN-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine
SMILESCOCCOc1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)14-11-6-5-10(9-13-11)16-8-7-15-4/h5-6,9H,7-8H2,1-4H3,(H,13,14)
InChIKeyKAPSLUIFRUTUNY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.32
Rot. Bonds5

About N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine

N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine (PubChem CID 138648270) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine
PubChem CID138648270
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine
SMILESCOCCOc1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)14-11-6-5-10(9-13-11)16-8-7-15-4/h5-6,9H,7-8H2,1-4H3,(H,13,14)
InChIKeyKAPSLUIFRUTUNY-UHFFFAOYSA-N
XLogP2.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine?
The IUPAC name of N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine (CID 138648270) is N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine is COCCOc1ccc(NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine?
The InChIKey is KAPSLUIFRUTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)14-11-6-5-10(9-13-11)16-8-7-15-4/h5-6,9H,7-8H2,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine?
N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methoxyethoxy)pyridin-2-amine is sourced from PubChem (CID 138648270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).