N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C13H26N2 — CID 116674112

IUPACN-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCC1C=CCC1
InChIInChI=1S/C13H26N2/c1-12(2)11-15-10-9-14-8-7-13-5-3-4-6-13/h3,5,12-15H,4,6-11H2,1-2H3
InChIKeyINAIHYNJPUMXKN-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.18
Rot. Bonds8

About N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 116674112) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID116674112
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCC1C=CCC1
InChIInChI=1S/C13H26N2/c1-12(2)11-15-10-9-14-8-7-13-5-3-4-6-13/h3,5,12-15H,4,6-11H2,1-2H3
InChIKeyINAIHYNJPUMXKN-UHFFFAOYSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 116674112) is N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCNCCC1C=CCC1.
What is the InChIKey of N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is INAIHYNJPUMXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)11-15-10-9-14-8-7-13-5-3-4-6-13/h3,5,12-15H,4,6-11H2,1-2H3.
What are the key properties of N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 116674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).