7-(2-methylprop-2-enoxy)octane-1,6-diamine

C12H26N2O — CID 135359277

IUPAC7-(2-methylprop-2-enoxy)octane-1,6-diamine
SMILESC=C(C)COC(C)C(N)CCCCCN
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-11(3)12(14)7-5-4-6-8-13/h11-12H,1,4-9,13-14H2,2-3H3
InChIKeyADMCTLLUBAYAOD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.81
Rot. Bonds9

About 7-(2-methylprop-2-enoxy)octane-1,6-diamine

7-(2-methylprop-2-enoxy)octane-1,6-diamine (PubChem CID 135359277) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoxy)octane-1,6-diamine.

Molecular Properties

Compound Name7-(2-methylprop-2-enoxy)octane-1,6-diamine
PubChem CID135359277
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name7-(2-methylprop-2-enoxy)octane-1,6-diamine
SMILESC=C(C)COC(C)C(N)CCCCCN
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-11(3)12(14)7-5-4-6-8-13/h11-12H,1,4-9,13-14H2,2-3H3
InChIKeyADMCTLLUBAYAOD-UHFFFAOYSA-N
XLogP1.81
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 7-(2-methylprop-2-enoxy)octane-1,6-diamine?
The IUPAC name of 7-(2-methylprop-2-enoxy)octane-1,6-diamine (CID 135359277) is 7-(2-methylprop-2-enoxy)octane-1,6-diamine.
What is the SMILES notation for 7-(2-methylprop-2-enoxy)octane-1,6-diamine?
The canonical SMILES for 7-(2-methylprop-2-enoxy)octane-1,6-diamine is C=C(C)COC(C)C(N)CCCCCN.
What is the InChIKey of 7-(2-methylprop-2-enoxy)octane-1,6-diamine?
The InChIKey is ADMCTLLUBAYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)9-15-11(3)12(14)7-5-4-6-8-13/h11-12H,1,4-9,13-14H2,2-3H3.
What are the key properties of 7-(2-methylprop-2-enoxy)octane-1,6-diamine?
7-(2-methylprop-2-enoxy)octane-1,6-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enoxy)octane-1,6-diamine is sourced from PubChem (CID 135359277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).