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

C12H24N2 — CID 23378573

IUPAC2-heptyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCCCCC1CCCC(N)=N1
InChIInChI=1S/C12H24N2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3,(H2,13,14)
InChIKeyRCPVUDANLSEJMD-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.26
Rot. Bonds6

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

2-heptyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 23378573) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2-heptyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID23378573
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-heptyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCCCCC1CCCC(N)=N1
InChIInChI=1S/C12H24N2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3,(H2,13,14)
InChIKeyRCPVUDANLSEJMD-UHFFFAOYSA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.26
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-heptyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine (CID 23378573) is 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine is CCCCCCCC1CCCC(N)=N1.
What is the InChIKey of 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is RCPVUDANLSEJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3,(H2,13,14).
What are the key properties of 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine?
2-heptyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 196.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 23378573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).