N,N,1-trimethyl-2H-pyridin-4-amine iodide

C8H14IN2- — CID 57353429

IUPACN,N,1-trimethyl-2H-pyridin-4-amine iodide
SMILESCN1C=CC(N(C)C)=CC1.[I-]
InChIInChI=1S/C8H14N2.HI/c1-9(2)8-4-6-10(3)7-5-8;/h4-6H,7H2,1-3H3;1H/p-1
InChIKeyBTYGAEQLRCPZPC-UHFFFAOYSA-M
MW265.12 g/mol
LogP-2.11
Rot. Bonds1

About N,N,1-trimethyl-2H-pyridin-4-amine iodide

N,N,1-trimethyl-2H-pyridin-4-amine iodide (PubChem CID 57353429) has the molecular formula C8H14IN2- and a molecular weight of 265.12 g/mol. Its IUPAC name is N,N,1-trimethyl-2H-pyridin-4-amine iodide.

Molecular Properties

Compound NameN,N,1-trimethyl-2H-pyridin-4-amine iodide
PubChem CID57353429
Molecular FormulaC8H14IN2-
Molecular Weight265.12 g/mol
Exact Mass265.02
IUPAC NameN,N,1-trimethyl-2H-pyridin-4-amine iodide
SMILESCN1C=CC(N(C)C)=CC1.[I-]
InChIInChI=1S/C8H14N2.HI/c1-9(2)8-4-6-10(3)7-5-8;/h4-6H,7H2,1-3H3;1H/p-1
InChIKeyBTYGAEQLRCPZPC-UHFFFAOYSA-M
XLogP-2.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2H-pyridin-4-amine iodide?
The IUPAC name of N,N,1-trimethyl-2H-pyridin-4-amine iodide (CID 57353429) is N,N,1-trimethyl-2H-pyridin-4-amine iodide.
What is the SMILES notation for N,N,1-trimethyl-2H-pyridin-4-amine iodide?
The canonical SMILES for N,N,1-trimethyl-2H-pyridin-4-amine iodide is CN1C=CC(N(C)C)=CC1.[I-].
What is the InChIKey of N,N,1-trimethyl-2H-pyridin-4-amine iodide?
The InChIKey is BTYGAEQLRCPZPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N2.HI/c1-9(2)8-4-6-10(3)7-5-8;/h4-6H,7H2,1-3H3;1H/p-1.
What are the key properties of N,N,1-trimethyl-2H-pyridin-4-amine iodide?
N,N,1-trimethyl-2H-pyridin-4-amine iodide has a molecular weight of 265.12 g/mol, XLogP of -2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2H-pyridin-4-amine iodide is sourced from PubChem (CID 57353429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).