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

C9H13IN2 — CID 162066317

IUPAC3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(I)=CC(C)=CN1N(C)C
InChIInChI=1S/C9H13IN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3
InChIKeyNVKUZRGVQZZVNI-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.52
Rot. Bonds1

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

3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine (PubChem CID 162066317) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
PubChem CID162066317
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC Name3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(I)=CC(C)=CN1N(C)C
InChIInChI=1S/C9H13IN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3
InChIKeyNVKUZRGVQZZVNI-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 158083783
N-[(2E)-2-(1-iodopropylidene)-1-pyridinyl]methanimine
CID 132124393
1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
CID 143325340
1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methyl-1,2,3-triazacyclohexa-2,4,5-triene
CID 143402587
(2Z)-5-methyl-2-prop-2-enylidenepyridin-1-amine
CID 155349912
5-iodo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 162066316
5-ethyl-1-methyl-2H-pyrazolo[1,5-a]pyridine
CID 164081500
1,6-dimethyl-2H-pyrazolo[1,5-a]pyridine
CID 167279985
N-[(2Z)-5-methyl-2-propylidene-1-pyridinyl]methanimine
CID 168258070
1-Ethyl-3-iodo-5-methyl-2-methylidenepyridine
CID 147960301
N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 149050399
3-chloro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 157873016

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine (CID 162066317) is 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine is C=C1C(I)=CC(C)=CN1N(C)C.
What is the InChIKey of 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The InChIKey is NVKUZRGVQZZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2/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-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine has a molecular weight of 276.12 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,N,5-trimethyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 162066317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).