3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine

C13H22N2O2 — CID 62583458

IUPAC3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
SMILESCC(C)OCCCNCCOc1cccnc1
InChIInChI=1S/C13H22N2O2/c1-12(2)16-9-4-7-14-8-10-17-13-5-3-6-15-11-13/h3,5-6,11-12,14H,4,7-10H2,1-2H3
InChIKeyMRKNHQJDXAGVHE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds9

About 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine

3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine (PubChem CID 62583458) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
PubChem CID62583458
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
SMILESCC(C)OCCCNCCOc1cccnc1
InChIInChI=1S/C13H22N2O2/c1-12(2)16-9-4-7-14-8-10-17-13-5-3-6-15-11-13/h3,5-6,11-12,14H,4,7-10H2,1-2H3
InChIKeyMRKNHQJDXAGVHE-UHFFFAOYSA-N
XLogP1.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
CID 18433344
2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
CID 115720180
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
3-(3-phenoxypropoxy)pyridine
CID 86195847
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
CID 106007760
3-octadecoxypyridine
CID 175800212

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine (CID 62583458) is 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine is CC(C)OCCCNCCOc1cccnc1.
What is the InChIKey of 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine?
The InChIKey is MRKNHQJDXAGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2)16-9-4-7-14-8-10-17-13-5-3-6-15-11-13/h3,5-6,11-12,14H,4,7-10H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine?
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine is sourced from PubChem (CID 62583458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).