N-(2-pyridin-3-yloxyethyl)hexan-3-amine

C13H22N2O — CID 115905779

IUPACN-(2-pyridin-3-yloxyethyl)hexan-3-amine
SMILESCCCC(CC)NCCOc1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-6-12(4-2)15-9-10-16-13-7-5-8-14-11-13/h5,7-8,11-12,15H,3-4,6,9-10H2,1-2H3
InChIKeyZWYWTZVYMOSYEI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.63
Rot. Bonds8

About N-(2-pyridin-3-yloxyethyl)hexan-3-amine

N-(2-pyridin-3-yloxyethyl)hexan-3-amine (PubChem CID 115905779) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-pyridin-3-yloxyethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-yloxyethyl)hexan-3-amine
PubChem CID115905779
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-pyridin-3-yloxyethyl)hexan-3-amine
SMILESCCCC(CC)NCCOc1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-6-12(4-2)15-9-10-16-13-7-5-8-14-11-13/h5,7-8,11-12,15H,3-4,6,9-10H2,1-2H3
InChIKeyZWYWTZVYMOSYEI-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-yloxyethyl)hexan-3-amine?
The IUPAC name of N-(2-pyridin-3-yloxyethyl)hexan-3-amine (CID 115905779) is N-(2-pyridin-3-yloxyethyl)hexan-3-amine.
What is the SMILES notation for N-(2-pyridin-3-yloxyethyl)hexan-3-amine?
The canonical SMILES for N-(2-pyridin-3-yloxyethyl)hexan-3-amine is CCCC(CC)NCCOc1cccnc1.
What is the InChIKey of N-(2-pyridin-3-yloxyethyl)hexan-3-amine?
The InChIKey is ZWYWTZVYMOSYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-12(4-2)15-9-10-16-13-7-5-8-14-11-13/h5,7-8,11-12,15H,3-4,6,9-10H2,1-2H3.
What are the key properties of N-(2-pyridin-3-yloxyethyl)hexan-3-amine?
N-(2-pyridin-3-yloxyethyl)hexan-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yloxyethyl)hexan-3-amine is sourced from PubChem (CID 115905779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).