5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane

C12H21BrN2 — CID 167470272

IUPAC5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
SMILESCC.CC(C)=C1C=CC(Br)=CN1N(C)C
InChIInChI=1S/C10H15BrN2.C2H6/c1-8(2)10-6-5-9(11)7-13(10)12(3)4;1-2/h5-7H,1-4H3;1-2H3
InChIKeyOLYGVRVVTQJRIR-UHFFFAOYSA-N
MW273.22 g/mol
LogP3.89
Rot. Bonds1

About 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane

5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane (PubChem CID 167470272) has the molecular formula C12H21BrN2 and a molecular weight of 273.22 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
PubChem CID167470272
Molecular FormulaC12H21BrN2
Molecular Weight273.22 g/mol
Exact Mass272.09
IUPAC Name5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
SMILESCC.CC(C)=C1C=CC(Br)=CN1N(C)C
InChIInChI=1S/C10H15BrN2.C2H6/c1-8(2)10-6-5-9(11)7-13(10)12(3)4;1-2/h5-7H,1-4H3;1-2H3
InChIKeyOLYGVRVVTQJRIR-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine
CID 155039514
3-Bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine
CID 167169502
N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane
CID 168926476
3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 159984985
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane?
The IUPAC name of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane (CID 167470272) is 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane.
What is the SMILES notation for 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane?
The canonical SMILES for 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane is CC.CC(C)=C1C=CC(Br)=CN1N(C)C.
What is the InChIKey of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane?
The InChIKey is OLYGVRVVTQJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2.C2H6/c1-8(2)10-6-5-9(11)7-13(10)12(3)4;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane?
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane has a molecular weight of 273.22 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane is sourced from PubChem (CID 167470272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).