1-pyridin-2-yloct-7-en-1-amine

C13H20N2 — CID 107008819

IUPAC1-pyridin-2-yloct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccccn1
InChIInChI=1S/C13H20N2/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h2,7-8,10-12H,1,3-6,9,14H2
InChIKeyGXBLIIBLHIGACF-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.22
Rot. Bonds7

About 1-pyridin-2-yloct-7-en-1-amine

1-pyridin-2-yloct-7-en-1-amine (PubChem CID 107008819) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-pyridin-2-yloct-7-en-1-amine.

Molecular Properties

Compound Name1-pyridin-2-yloct-7-en-1-amine
PubChem CID107008819
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-pyridin-2-yloct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccccn1
InChIInChI=1S/C13H20N2/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h2,7-8,10-12H,1,3-6,9,14H2
InChIKeyGXBLIIBLHIGACF-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yloct-7-en-1-amine?
The IUPAC name of 1-pyridin-2-yloct-7-en-1-amine (CID 107008819) is 1-pyridin-2-yloct-7-en-1-amine.
What is the SMILES notation for 1-pyridin-2-yloct-7-en-1-amine?
The canonical SMILES for 1-pyridin-2-yloct-7-en-1-amine is C=CCCCCCC(N)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yloct-7-en-1-amine?
The InChIKey is GXBLIIBLHIGACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h2,7-8,10-12H,1,3-6,9,14H2.
What are the key properties of 1-pyridin-2-yloct-7-en-1-amine?
1-pyridin-2-yloct-7-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yloct-7-en-1-amine is sourced from PubChem (CID 107008819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).