2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine

C14H26N2O — CID 155396948

IUPAC2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine
SMILESCCCCC(CC)COC1=CC(N)C=CC1N
InChIInChI=1S/C14H26N2O/c1-3-5-6-11(4-2)10-17-14-9-12(15)7-8-13(14)16/h7-9,11-13H,3-6,10,15-16H2,1-2H3
InChIKeyIKKLONSPQIRVHW-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.33
Rot. Bonds7

About 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine

2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine (PubChem CID 155396948) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine.

Molecular Properties

Compound Name2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine
PubChem CID155396948
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine
SMILESCCCCC(CC)COC1=CC(N)C=CC1N
InChIInChI=1S/C14H26N2O/c1-3-5-6-11(4-2)10-17-14-9-12(15)7-8-13(14)16/h7-9,11-13H,3-6,10,15-16H2,1-2H3
InChIKeyIKKLONSPQIRVHW-UHFFFAOYSA-N
XLogP2.33
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine?
The IUPAC name of 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine (CID 155396948) is 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine.
What is the SMILES notation for 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine?
The canonical SMILES for 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine is CCCCC(CC)COC1=CC(N)C=CC1N.
What is the InChIKey of 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine?
The InChIKey is IKKLONSPQIRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-6-11(4-2)10-17-14-9-12(15)7-8-13(14)16/h7-9,11-13H,3-6,10,15-16H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine?
2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine is sourced from PubChem (CID 155396948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).