3-(6-methoxy-3-pyridinyl)propan-1-amine

C9H14N2O — CID 55266193

IUPAC3-(6-methoxy-3-pyridinyl)propan-1-amine
SMILESCOc1ccc(CCCN)cn1
InChIInChI=1S/C9H14N2O/c1-12-9-5-4-8(7-11-9)3-2-6-10/h4-5,7H,2-3,6,10H2,1H3
InChIKeyCXRMNOBHRZVQQS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.98
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)propan-1-amine

3-(6-methoxy-3-pyridinyl)propan-1-amine (PubChem CID 55266193) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)propan-1-amine
PubChem CID55266193
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(6-methoxy-3-pyridinyl)propan-1-amine
SMILESCOc1ccc(CCCN)cn1
InChIInChI=1S/C9H14N2O/c1-12-9-5-4-8(7-11-9)3-2-6-10/h4-5,7H,2-3,6,10H2,1H3
InChIKeyCXRMNOBHRZVQQS-UHFFFAOYSA-N
XLogP0.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)propan-1-amine (CID 55266193) is 3-(6-methoxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)propan-1-amine is COc1ccc(CCCN)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)propan-1-amine?
The InChIKey is CXRMNOBHRZVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-9-5-4-8(7-11-9)3-2-6-10/h4-5,7H,2-3,6,10H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)propan-1-amine?
3-(6-methoxy-3-pyridinyl)propan-1-amine has a molecular weight of 166.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 55266193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).