6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine

C11H18IN3 — CID 107845269

IUPAC6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine
SMILESICCCCCCNCc1ncccn1
InChIInChI=1S/C11H18IN3/c12-6-3-1-2-4-7-13-10-11-14-8-5-9-15-11/h5,8-9,13H,1-4,6-7,10H2
InChIKeyBOMTXBREYCBWQX-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.56
Rot. Bonds8

About 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine

6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine (PubChem CID 107845269) has the molecular formula C11H18IN3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine
PubChem CID107845269
Molecular FormulaC11H18IN3
Molecular Weight319.19 g/mol
Exact Mass319.05
IUPAC Name6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine
SMILESICCCCCCNCc1ncccn1
InChIInChI=1S/C11H18IN3/c12-6-3-1-2-4-7-13-10-11-14-8-5-9-15-11/h5,8-9,13H,1-4,6-7,10H2
InChIKeyBOMTXBREYCBWQX-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine (CID 107845269) is 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine is ICCCCCCNCc1ncccn1.
What is the InChIKey of 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine?
The InChIKey is BOMTXBREYCBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3/c12-6-3-1-2-4-7-13-10-11-14-8-5-9-15-11/h5,8-9,13H,1-4,6-7,10H2.
What are the key properties of 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine?
6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine has a molecular weight of 319.19 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 107845269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).