3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine

C13H22N2O — CID 102877253

IUPAC3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCc1cncc(COCCCNC(C)C)c1
InChIInChI=1S/C13H22N2O/c1-11(2)15-5-4-6-16-10-13-7-12(3)8-14-9-13/h7-9,11,15H,4-6,10H2,1-3H3
InChIKeyYDECYSCMDQRKAR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds7

About 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine

3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 102877253) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID102877253
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCc1cncc(COCCCNC(C)C)c1
InChIInChI=1S/C13H22N2O/c1-11(2)15-5-4-6-16-10-13-7-12(3)8-14-9-13/h7-9,11,15H,4-6,10H2,1-3H3
InChIKeyYDECYSCMDQRKAR-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine (CID 102877253) is 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine is Cc1cncc(COCCCNC(C)C)c1.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is YDECYSCMDQRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)15-5-4-6-16-10-13-7-12(3)8-14-9-13/h7-9,11,15H,4-6,10H2,1-3H3.
What are the key properties of 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102877253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).