N-(2-pyridin-2-ylethyl)propan-1-amine

C10H16N2 — CID 3016695

IUPACN-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCCCNCCc1ccccn1
InChIInChI=1S/C10H16N2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h3-5,8,11H,2,6-7,9H2,1H3
InChIKeyXPVKRNJOBDEBIH-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.62
Rot. Bonds5

About N-(2-pyridin-2-ylethyl)propan-1-amine

N-(2-pyridin-2-ylethyl)propan-1-amine (PubChem CID 3016695) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)propan-1-amine
PubChem CID3016695
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCCCNCCc1ccccn1
InChIInChI=1S/C10H16N2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h3-5,8,11H,2,6-7,9H2,1H3
InChIKeyXPVKRNJOBDEBIH-UHFFFAOYSA-N
XLogP1.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.62
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 N-(2-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)propan-1-amine (CID 3016695) is N-(2-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)propan-1-amine is CCCNCCc1ccccn1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is XPVKRNJOBDEBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h3-5,8,11H,2,6-7,9H2,1H3.
What are the key properties of N-(2-pyridin-2-ylethyl)propan-1-amine?
N-(2-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 3016695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).