1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine

C11H17N3 — CID 126994341

IUPAC1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine
SMILESCCc1cc(NC2CC(N)C2)ccn1
InChIInChI=1S/C11H17N3/c1-2-9-7-10(3-4-13-9)14-11-5-8(12)6-11/h3-4,7-8,11H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyLMIXYOYYHRXZNF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.55
Rot. Bonds3

About 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine

1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine (PubChem CID 126994341) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine
PubChem CID126994341
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine
SMILESCCc1cc(NC2CC(N)C2)ccn1
InChIInChI=1S/C11H17N3/c1-2-9-7-10(3-4-13-9)14-11-5-8(12)6-11/h3-4,7-8,11H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyLMIXYOYYHRXZNF-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine (CID 126994341) is 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine is CCc1cc(NC2CC(N)C2)ccn1.
What is the InChIKey of 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine?
The InChIKey is LMIXYOYYHRXZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-9-7-10(3-4-13-9)14-11-5-8(12)6-11/h3-4,7-8,11H,2,5-6,12H2,1H3,(H,13,14).
What are the key properties of 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine?
1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethyl-4-pyridinyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 126994341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).