3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine

C8H11IN2 — CID 158214429

IUPAC3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(I)=CC(C)=CN1NC
InChIInChI=1S/C8H11IN2/c1-6-4-8(9)7(2)11(5-6)10-3/h4-5,10H,2H2,1,3H3
InChIKeyQGBSSTATHAVUHL-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.17
Rot. Bonds1

About 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine

3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine (PubChem CID 158214429) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine
PubChem CID158214429
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(I)=CC(C)=CN1NC
InChIInChI=1S/C8H11IN2/c1-6-4-8(9)7(2)11(5-6)10-3/h4-5,10H,2H2,1,3H3
InChIKeyQGBSSTATHAVUHL-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 160896325
N,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 161823292
1-Methyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 69986764
4-iodo-3-propan-2-yl-1H-pyrido[1,2-b]pyridazine
CID 88265504
(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine
CID 88579476
6-Methyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89976888
(2S)-3-iodo-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 117636835
3-Ethyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 138658912
N,4-dimethyl-2-propan-2-ylidenepyridin-1-amine
CID 145657366
2,3,5-trimethyl-1H-pyridazine
CID 146392503
3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine
CID 155051776

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine (CID 158214429) is 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine is C=C1C(I)=CC(C)=CN1NC.
What is the InChIKey of 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine?
The InChIKey is QGBSSTATHAVUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-6-4-8(9)7(2)11(5-6)10-3/h4-5,10H,2H2,1,3H3.
What are the key properties of 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine?
3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine has a molecular weight of 262.09 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,5-dimethyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 158214429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).