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

C14H25N3 — CID 59755467

IUPAC2-decyl-3,4-diiminocyclobuten-1-amine
SMILES[H]/N=c1/c(N)c(CCCCCCCCCC)/c1=N/[H]
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-10-11-12(15)14(17)13(11)16/h15,17H,2-10,16H2,1H3/b15-12-,17-14+
InChIKeyCHPFWRZSSWIYIK-JMKVMCQXSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds9

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

2-decyl-3,4-diiminocyclobuten-1-amine (PubChem CID 59755467) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-decyl-3,4-diiminocyclobuten-1-amine.

Molecular Properties

Compound Name2-decyl-3,4-diiminocyclobuten-1-amine
PubChem CID59755467
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-decyl-3,4-diiminocyclobuten-1-amine
SMILES[H]/N=c1/c(N)c(CCCCCCCCCC)/c1=N/[H]
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-10-11-12(15)14(17)13(11)16/h15,17H,2-10,16H2,1H3/b15-12-,17-14+
InChIKeyCHPFWRZSSWIYIK-JMKVMCQXSA-N
XLogP2.79
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-3,4-diiminocyclobuten-1-amine?
The IUPAC name of 2-decyl-3,4-diiminocyclobuten-1-amine (CID 59755467) is 2-decyl-3,4-diiminocyclobuten-1-amine.
What is the SMILES notation for 2-decyl-3,4-diiminocyclobuten-1-amine?
The canonical SMILES for 2-decyl-3,4-diiminocyclobuten-1-amine is [H]/N=c1/c(N)c(CCCCCCCCCC)/c1=N/[H].
What is the InChIKey of 2-decyl-3,4-diiminocyclobuten-1-amine?
The InChIKey is CHPFWRZSSWIYIK-JMKVMCQXSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-10-11-12(15)14(17)13(11)16/h15,17H,2-10,16H2,1H3/b15-12-,17-14+.
What are the key properties of 2-decyl-3,4-diiminocyclobuten-1-amine?
2-decyl-3,4-diiminocyclobuten-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3,4-diiminocyclobuten-1-amine is sourced from PubChem (CID 59755467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).