1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine

C10H15N3O — CID 106504373

IUPAC1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine
SMILESCOc1ccc(NC2CC(N)C2)nc1
InChIInChI=1S/C10H15N3O/c1-14-9-2-3-10(12-6-9)13-8-4-7(11)5-8/h2-3,6-8H,4-5,11H2,1H3,(H,12,13)
InChIKeyGUKDTXCTIGLPER-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds3

About 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine

1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine (PubChem CID 106504373) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine
PubChem CID106504373
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine
SMILESCOc1ccc(NC2CC(N)C2)nc1
InChIInChI=1S/C10H15N3O/c1-14-9-2-3-10(12-6-9)13-8-4-7(11)5-8/h2-3,6-8H,4-5,11H2,1H3,(H,12,13)
InChIKeyGUKDTXCTIGLPER-UHFFFAOYSA-N
XLogP0.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine (CID 106504373) is 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine is COc1ccc(NC2CC(N)C2)nc1.
What is the InChIKey of 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine?
The InChIKey is GUKDTXCTIGLPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-14-9-2-3-10(12-6-9)13-8-4-7(11)5-8/h2-3,6-8H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine?
1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 106504373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).