N,1-dimethylpyridin-1-ium-3-amine iodide

C7H11IN2 — CID 44887181

IUPACN,1-dimethylpyridin-1-ium-3-amine iodide
SMILESCNc1ccc[n+](C)c1.[I-]
InChIInChI=1S/C7H11N2.HI/c1-8-7-4-3-5-9(2)6-7;/h3-6,8H,1-2H3;1H/q+1;/p-1
InChIKeyDVAPYOCIIWRGJT-UHFFFAOYSA-M
MW250.08 g/mol
LogP-2.44
Rot. Bonds1

About N,1-dimethylpyridin-1-ium-3-amine iodide

N,1-dimethylpyridin-1-ium-3-amine iodide (PubChem CID 44887181) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is N,1-dimethylpyridin-1-ium-3-amine iodide.

Molecular Properties

Compound NameN,1-dimethylpyridin-1-ium-3-amine iodide
PubChem CID44887181
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC NameN,1-dimethylpyridin-1-ium-3-amine iodide
SMILESCNc1ccc[n+](C)c1.[I-]
InChIInChI=1S/C7H11N2.HI/c1-8-7-4-3-5-9(2)6-7;/h3-6,8H,1-2H3;1H/q+1;/p-1
InChIKeyDVAPYOCIIWRGJT-UHFFFAOYSA-M
XLogP-2.44
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpyridin-1-ium-3-yl)formamide iodide
CID 87858375
3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium
CID 40531430
N-(1-methylpyridin-1-ium-3-yl)benzenecarbothioamide
CID 3700121
3-[[(R)-methoxysulfinyl]amino]-1-methylpyridin-1-ium
CID 40531431
1-(1-methylpyridin-1-ium-3-yl)-3-pyridin-4-ylurea iodide
CID 71396557
1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide
CID 71396424
2-[3-(methylamino)pyridin-1-ium-1-yl]ethylazanium dibromide
CID 154697348
1-(3-aminopropyl)-N-methylpyridin-1-ium-3-amine
CID 154697359
2-(1-methylpyridin-1-ium-3-yl)ethylsilane
CID 137330720
1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide
CID 44890101
4-[(1-methylpyridin-1-ium-3-yl)diazenyl]-N-phenylaniline
CID 18720656
2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide
CID 56957499

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpyridin-1-ium-3-amine iodide?
The IUPAC name of N,1-dimethylpyridin-1-ium-3-amine iodide (CID 44887181) is N,1-dimethylpyridin-1-ium-3-amine iodide.
What is the SMILES notation for N,1-dimethylpyridin-1-ium-3-amine iodide?
The canonical SMILES for N,1-dimethylpyridin-1-ium-3-amine iodide is CNc1ccc[n+](C)c1.[I-].
What is the InChIKey of N,1-dimethylpyridin-1-ium-3-amine iodide?
The InChIKey is DVAPYOCIIWRGJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N2.HI/c1-8-7-4-3-5-9(2)6-7;/h3-6,8H,1-2H3;1H/q+1;/p-1.
What are the key properties of N,1-dimethylpyridin-1-ium-3-amine iodide?
N,1-dimethylpyridin-1-ium-3-amine iodide has a molecular weight of 250.08 g/mol, XLogP of -2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpyridin-1-ium-3-amine iodide is sourced from PubChem (CID 44887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).