(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine

C10H14Cl2N2 — CID 105492123

IUPAC(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine
SMILESCC(C)(C)c1nc(Cl)c(CN)cc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-10(2,3)8-7(11)4-6(5-13)9(12)14-8/h4H,5,13H2,1-3H3
InChIKeyNJZQFRRTICTUBP-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.14
Rot. Bonds1

About (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine

(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine (PubChem CID 105492123) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine
PubChem CID105492123
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine
SMILESCC(C)(C)c1nc(Cl)c(CN)cc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-10(2,3)8-7(11)4-6(5-13)9(12)14-8/h4H,5,13H2,1-3H3
InChIKeyNJZQFRRTICTUBP-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine?
The IUPAC name of (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine (CID 105492123) is (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine.
What is the SMILES notation for (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine?
The canonical SMILES for (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine is CC(C)(C)c1nc(Cl)c(CN)cc1Cl.
What is the InChIKey of (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine?
The InChIKey is NJZQFRRTICTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-10(2,3)8-7(11)4-6(5-13)9(12)14-8/h4H,5,13H2,1-3H3.
What are the key properties of (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine?
(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine has a molecular weight of 233.14 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine is sourced from PubChem (CID 105492123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).