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

C12H19N3O — CID 66197643

IUPAC3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1cc(C)ccn1
InChIInChI=1S/C12H19N3O/c1-3-16-10-7-9(13)12(10)15-11-6-8(2)4-5-14-11/h4-6,9-10,12H,3,7,13H2,1-2H3,(H,14,15)
InChIKeyXUWVVSCPRPQOSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.31
Rot. Bonds4

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

3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine (PubChem CID 66197643) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine
PubChem CID66197643
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1cc(C)ccn1
InChIInChI=1S/C12H19N3O/c1-3-16-10-7-9(13)12(10)15-11-6-8(2)4-5-14-11/h4-6,9-10,12H,3,7,13H2,1-2H3,(H,14,15)
InChIKeyXUWVVSCPRPQOSQ-UHFFFAOYSA-N
XLogP1.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine (CID 66197643) is 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1cc(C)ccn1.
What is the InChIKey of 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine?
The InChIKey is XUWVVSCPRPQOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-16-10-7-9(13)12(10)15-11-6-8(2)4-5-14-11/h4-6,9-10,12H,3,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine is sourced from PubChem (CID 66197643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).