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

C10H15BrN2 — CID 167470273

IUPAC5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine
SMILESCC(C)=C1C=CC(Br)=CN1N(C)C
InChIInChI=1S/C10H15BrN2/c1-8(2)10-6-5-9(11)7-13(10)12(3)4/h5-7H,1-4H3
InChIKeyURKHNPNJBKLPCV-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.87
Rot. Bonds1

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

5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine (PubChem CID 167470273) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine
PubChem CID167470273
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine
SMILESCC(C)=C1C=CC(Br)=CN1N(C)C
InChIInChI=1S/C10H15BrN2/c1-8(2)10-6-5-9(11)7-13(10)12(3)4/h5-7H,1-4H3
InChIKeyURKHNPNJBKLPCV-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
CID 167470272
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
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?
The IUPAC name of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine (CID 167470273) is 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine.
What is the SMILES notation for 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine?
The canonical SMILES for 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine is CC(C)=C1C=CC(Br)=CN1N(C)C.
What is the InChIKey of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine?
The InChIKey is URKHNPNJBKLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8(2)10-6-5-9(11)7-13(10)12(3)4/h5-7H,1-4H3.
What are the key properties of 5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine?
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.87, 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 is sourced from PubChem (CID 167470273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).