(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine

C13H22N2O2 — CID 113355207

IUPAC(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
SMILESCCCOCCOc1ccc([C@@H](N)CC)nc1
InChIInChI=1S/C13H22N2O2/c1-3-7-16-8-9-17-11-5-6-13(15-10-11)12(14)4-2/h5-6,10,12H,3-4,7-9,14H2,1-2H3/t12-/m0/s1
InChIKeyCATYSXNKFYFMMD-LBPRGKRZSA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds8

About (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine (PubChem CID 113355207) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
PubChem CID113355207
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
SMILESCCCOCCOc1ccc([C@@H](N)CC)nc1
InChIInChI=1S/C13H22N2O2/c1-3-7-16-8-9-17-11-5-6-13(15-10-11)12(14)4-2/h5-6,10,12H,3-4,7-9,14H2,1-2H3/t12-/m0/s1
InChIKeyCATYSXNKFYFMMD-LBPRGKRZSA-N
XLogP2.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 115487193
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine (CID 113355207) is (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine is CCCOCCOc1ccc([C@@H](N)CC)nc1.
What is the InChIKey of (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is CATYSXNKFYFMMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-7-16-8-9-17-11-5-6-13(15-10-11)12(14)4-2/h5-6,10,12H,3-4,7-9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 113355207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).