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

C8H13N3 — CID 59755504

IUPAC2-butyl-3,4-diiminocyclobuten-1-amine
SMILES[H]/N=c1/c(N)c(CCCC)/c1=N/[H]
InChIInChI=1S/C8H13N3/c1-2-3-4-5-6(9)8(11)7(5)10/h9,11H,2-4,10H2,1H3/b9-6-,11-8+
InChIKeyTZEHSLWRGJDQLT-DJAXYUIYSA-N
MW151.21 g/mol
LogP0.45
Rot. Bonds3

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

2-butyl-3,4-diiminocyclobuten-1-amine (PubChem CID 59755504) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-butyl-3,4-diiminocyclobuten-1-amine.

Molecular Properties

Compound Name2-butyl-3,4-diiminocyclobuten-1-amine
PubChem CID59755504
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-butyl-3,4-diiminocyclobuten-1-amine
SMILES[H]/N=c1/c(N)c(CCCC)/c1=N/[H]
InChIInChI=1S/C8H13N3/c1-2-3-4-5-6(9)8(11)7(5)10/h9,11H,2-4,10H2,1H3/b9-6-,11-8+
InChIKeyTZEHSLWRGJDQLT-DJAXYUIYSA-N
XLogP0.45
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4-diiminocyclobuten-1-amine?
The IUPAC name of 2-butyl-3,4-diiminocyclobuten-1-amine (CID 59755504) is 2-butyl-3,4-diiminocyclobuten-1-amine.
What is the SMILES notation for 2-butyl-3,4-diiminocyclobuten-1-amine?
The canonical SMILES for 2-butyl-3,4-diiminocyclobuten-1-amine is [H]/N=c1/c(N)c(CCCC)/c1=N/[H].
What is the InChIKey of 2-butyl-3,4-diiminocyclobuten-1-amine?
The InChIKey is TZEHSLWRGJDQLT-DJAXYUIYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-5-6(9)8(11)7(5)10/h9,11H,2-4,10H2,1H3/b9-6-,11-8+.
What are the key properties of 2-butyl-3,4-diiminocyclobuten-1-amine?
2-butyl-3,4-diiminocyclobuten-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4-diiminocyclobuten-1-amine is sourced from PubChem (CID 59755504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).