3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine

C15H26N2O2 — CID 103227977

IUPAC3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
SMILESCOCC(CNC(C)C)OCCCc1ccncc1
InChIInChI=1S/C15H26N2O2/c1-13(2)17-11-15(12-18-3)19-10-4-5-14-6-8-16-9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeyBZNITQQACNMLGJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.04
Rot. Bonds10

About 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine

3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine (PubChem CID 103227977) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
PubChem CID103227977
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
SMILESCOCC(CNC(C)C)OCCCc1ccncc1
InChIInChI=1S/C15H26N2O2/c1-13(2)17-11-15(12-18-3)19-10-4-5-14-6-8-16-9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeyBZNITQQACNMLGJ-UHFFFAOYSA-N
XLogP2.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.04
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

3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
CID 103228598
N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044112
N-methyl-2-(3-pyridin-4-ylpropoxy)butan-1-amine
CID 62450954
N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044289
2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227914
methyl 5-[1-(3-pyridin-4-ylpropoxy)ethyl]furan-2-carboxylate
CID 79086279
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
CID 55077915
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine (CID 103227977) is 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine is COCC(CNC(C)C)OCCCc1ccncc1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine?
The InChIKey is BZNITQQACNMLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(2)17-11-15(12-18-3)19-10-4-5-14-6-8-16-9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine?
3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine is sourced from PubChem (CID 103227977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).