3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine

C9H13BrN2 — CID 159984985

IUPAC3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(Br)=CC(C)=CN1N(C)C
InChIInChI=1S/C9H13BrN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3
InChIKeyABAGTXMSILTARH-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.47
Rot. Bonds1

About 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine

3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine (PubChem CID 159984985) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
PubChem CID159984985
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(Br)=CC(C)=CN1N(C)C
InChIInChI=1S/C9H13BrN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3
InChIKeyABAGTXMSILTARH-UHFFFAOYSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 158083783
5-Bromo-1,3-dimethyl-2-methylidenepyridine
CID 132152152
(2Z)-5-bromo-1-ethenyl-2-propylidenepyridine
CID 142503221
(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
CID 143938742
N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine
CID 144803780
(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine
CID 145013063
5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 159984984
(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine
CID 167211736
1,6-dimethyl-2H-pyrazolo[1,5-a]pyridine
CID 167279985
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
CID 167470272
5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782744
4-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine (CID 159984985) is 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine is C=C1C(Br)=CC(C)=CN1N(C)C.
What is the InChIKey of 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The InChIKey is ABAGTXMSILTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3.
What are the key properties of 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 159984985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).