1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine

C10H15BrN2 — CID 130319784

IUPAC1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/C1C=CC=C(Br)N1
InChIInChI=1S/C10H15BrN2/c1-10(2,3)12-7-8-5-4-6-9(11)13-8/h4-8,13H,1-3H3/b12-7+
InChIKeyMMOGOPGGQJAMBS-KPKJPENVSA-N
MW243.15 g/mol
LogP2.62
Rot. Bonds1

About 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine

1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine (PubChem CID 130319784) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine
PubChem CID130319784
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/C1C=CC=C(Br)N1
InChIInChI=1S/C10H15BrN2/c1-10(2,3)12-7-8-5-4-6-9(11)13-8/h4-8,13H,1-3H3/b12-7+
InChIKeyMMOGOPGGQJAMBS-KPKJPENVSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine?
The IUPAC name of 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine (CID 130319784) is 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine.
What is the SMILES notation for 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine?
The canonical SMILES for 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine is CC(C)(C)/N=C/C1C=CC=C(Br)N1.
What is the InChIKey of 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine?
The InChIKey is MMOGOPGGQJAMBS-KPKJPENVSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-10(2,3)12-7-8-5-4-6-9(11)13-8/h4-8,13H,1-3H3/b12-7+.
What are the key properties of 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine?
1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine has a molecular weight of 243.15 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine is sourced from PubChem (CID 130319784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).