N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine

C11H13IN2 — CID 79507899

IUPACN-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESIc1cccc(NC2=NCCCC2)c1
InChIInChI=1S/C11H13IN2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2,(H,13,14)
InChIKeyYHPCEDRKGWIGLC-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.29
Rot. Bonds1

About N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79507899) has the molecular formula C11H13IN2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79507899
Molecular FormulaC11H13IN2
Molecular Weight300.14 g/mol
Exact Mass300.01
IUPAC NameN-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESIc1cccc(NC2=NCCCC2)c1
InChIInChI=1S/C11H13IN2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2,(H,13,14)
InChIKeyYHPCEDRKGWIGLC-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
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-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79507899) is N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine is Ic1cccc(NC2=NCCCC2)c1.
What is the InChIKey of N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is YHPCEDRKGWIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2,(H,13,14).
What are the key properties of N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 300.14 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79507899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).