2-ethyl-3,4-diiminocyclobuten-1-amine

C6H9N3 — CID 59755503

IUPAC2-ethyl-3,4-diiminocyclobuten-1-amine
SMILES[H]/N=c1/c(N)c(CC)/c1=N/[H]
InChIInChI=1S/C6H9N3/c1-2-3-4(7)6(9)5(3)8/h7,9H,2,8H2,1H3/b7-4-,9-6+
InChIKeyKXUUVVRITWOWMB-WCXGJSBASA-N
MW123.16 g/mol
LogP-0.33
Rot. Bonds1

About 2-ethyl-3,4-diiminocyclobuten-1-amine

2-ethyl-3,4-diiminocyclobuten-1-amine (PubChem CID 59755503) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-ethyl-3,4-diiminocyclobuten-1-amine.

Molecular Properties

Compound Name2-ethyl-3,4-diiminocyclobuten-1-amine
PubChem CID59755503
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-ethyl-3,4-diiminocyclobuten-1-amine
SMILES[H]/N=c1/c(N)c(CC)/c1=N/[H]
InChIInChI=1S/C6H9N3/c1-2-3-4(7)6(9)5(3)8/h7,9H,2,8H2,1H3/b7-4-,9-6+
InChIKeyKXUUVVRITWOWMB-WCXGJSBASA-N
XLogP-0.33
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-diiminocyclobuten-1-amine?
The IUPAC name of 2-ethyl-3,4-diiminocyclobuten-1-amine (CID 59755503) is 2-ethyl-3,4-diiminocyclobuten-1-amine.
What is the SMILES notation for 2-ethyl-3,4-diiminocyclobuten-1-amine?
The canonical SMILES for 2-ethyl-3,4-diiminocyclobuten-1-amine is [H]/N=c1/c(N)c(CC)/c1=N/[H].
What is the InChIKey of 2-ethyl-3,4-diiminocyclobuten-1-amine?
The InChIKey is KXUUVVRITWOWMB-WCXGJSBASA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-4(7)6(9)5(3)8/h7,9H,2,8H2,1H3/b7-4-,9-6+.
What are the key properties of 2-ethyl-3,4-diiminocyclobuten-1-amine?
2-ethyl-3,4-diiminocyclobuten-1-amine has a molecular weight of 123.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-diiminocyclobuten-1-amine is sourced from PubChem (CID 59755503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).