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

C6H11IN2 — CID 135291577

IUPACN-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESICNC1=NCCCC1
InChIInChI=1S/C6H11IN2/c7-5-9-6-3-1-2-4-8-6/h1-5H2,(H,8,9)
InChIKeyHGKOCUHYCOHQDF-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.55
Rot. Bonds1

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

N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 135291577) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID135291577
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC NameN-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESICNC1=NCCCC1
InChIInChI=1S/C6H11IN2/c7-5-9-6-3-1-2-4-8-6/h1-5H2,(H,8,9)
InChIKeyHGKOCUHYCOHQDF-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 135291577) is N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine is ICNC1=NCCCC1.
What is the InChIKey of N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is HGKOCUHYCOHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2/c7-5-9-6-3-1-2-4-8-6/h1-5H2,(H,8,9).
What are the key properties of N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 238.07 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 135291577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).