5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine

C14H23ClN2 — CID 107875628

IUPAC5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
SMILESCC(CCl)C(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23ClN2/c1-10(8-15)11(2)17-13-7-6-12(9-16-13)14(3,4)5/h6-7,9-11H,8H2,1-5H3,(H,16,17)
InChIKeyMBWAUEFWGKCYFV-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.05
Rot. Bonds4

About 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine

5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine (PubChem CID 107875628) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
PubChem CID107875628
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
SMILESCC(CCl)C(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23ClN2/c1-10(8-15)11(2)17-13-7-6-12(9-16-13)14(3,4)5/h6-7,9-11H,8H2,1-5H3,(H,16,17)
InChIKeyMBWAUEFWGKCYFV-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine (CID 107875628) is 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine is CC(CCl)C(C)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is MBWAUEFWGKCYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(8-15)11(2)17-13-7-6-12(9-16-13)14(3,4)5/h6-7,9-11H,8H2,1-5H3,(H,16,17).
What are the key properties of 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine?
5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 254.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 107875628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).