8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine

C14H22N2 — CID 57029757

IUPAC8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine
SMILESCN1C=C(C#CCCCCCCN)C=CC1
InChIInChI=1S/C14H22N2/c1-16-12-8-10-14(13-16)9-6-4-2-3-5-7-11-15/h8,10,13H,2-5,7,11-12,15H2,1H3
InChIKeyXNYNXXDKHXAAFZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.28
Rot. Bonds5

About 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine

8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine (PubChem CID 57029757) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine.

Molecular Properties

Compound Name8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine
PubChem CID57029757
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine
SMILESCN1C=C(C#CCCCCCCN)C=CC1
InChIInChI=1S/C14H22N2/c1-16-12-8-10-14(13-16)9-6-4-2-3-5-7-11-15/h8,10,13H,2-5,7,11-12,15H2,1H3
InChIKeyXNYNXXDKHXAAFZ-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine?
The IUPAC name of 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine (CID 57029757) is 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine.
What is the SMILES notation for 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine?
The canonical SMILES for 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine is CN1C=C(C#CCCCCCCN)C=CC1.
What is the InChIKey of 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine?
The InChIKey is XNYNXXDKHXAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16-12-8-10-14(13-16)9-6-4-2-3-5-7-11-15/h8,10,13H,2-5,7,11-12,15H2,1H3.
What are the key properties of 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine?
8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methyl-2H-pyridin-5-yl)oct-7-yn-1-amine is sourced from PubChem (CID 57029757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).