N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane

C11H17BrN2 — CID 168926476

IUPACN-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane
SMILESC=NN1C=C(Br)C=CC1=C(C)C.CC
InChIInChI=1S/C9H11BrN2.C2H6/c1-7(2)9-5-4-8(10)6-12(9)11-3;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyWJHPIDWNWRWQDE-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.03
Rot. Bonds1

About N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane

N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane (PubChem CID 168926476) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane.

Molecular Properties

Compound NameN-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane
PubChem CID168926476
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC NameN-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane
SMILESC=NN1C=C(Br)C=CC1=C(C)C.CC
InChIInChI=1S/C9H11BrN2.C2H6/c1-7(2)9-5-4-8(10)6-12(9)11-3;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyWJHPIDWNWRWQDE-UHFFFAOYSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
CID 123841124
ethane;N-(2-propan-2-ylidene-1-pyridinyl)methanimine
CID 144376796
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
CID 167470272
N-(2-propan-2-ylidene-1-pyridinyl)methanimine
CID 144376797
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine
CID 167470273
N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine
CID 168926477
(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine
CID 171543529

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane?
The IUPAC name of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane (CID 168926476) is N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane.
What is the SMILES notation for N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane?
The canonical SMILES for N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane is C=NN1C=C(Br)C=CC1=C(C)C.CC.
What is the InChIKey of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane?
The InChIKey is WJHPIDWNWRWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2.C2H6/c1-7(2)9-5-4-8(10)6-12(9)11-3;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane?
N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane has a molecular weight of 257.17 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane is sourced from PubChem (CID 168926476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).