2-hexyl-2,3,4,5-tetrahydropyridin-6-amine

C11H22N2 — CID 23378574

IUPAC2-hexyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCCCC1CCCC(N)=N1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyNIDMCWCXENRCCM-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.87
Rot. Bonds5

About 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine

2-hexyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 23378574) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2-hexyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID23378574
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-hexyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCCCC1CCCC(N)=N1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyNIDMCWCXENRCCM-UHFFFAOYSA-N
XLogP2.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine (CID 23378574) is 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine is CCCCCCC1CCCC(N)=N1.
What is the InChIKey of 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is NIDMCWCXENRCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3,(H2,12,13).
What are the key properties of 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine?
2-hexyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 182.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 23378574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).