6-(2-aminopropoxy)-7-ethenyldodecan-6-amine

C17H36N2O — CID 138474050

IUPAC6-(2-aminopropoxy)-7-ethenyldodecan-6-amine
SMILESC=CC(CCCCC)C(N)(CCCCC)OCC(C)N
InChIInChI=1S/C17H36N2O/c1-5-8-10-12-16(7-3)17(19,13-11-9-6-2)20-14-15(4)18/h7,15-16H,3,5-6,8-14,18-19H2,1-2,4H3
InChIKeyDRTQTDMYRNZVGH-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.97
Rot. Bonds13

About 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine

6-(2-aminopropoxy)-7-ethenyldodecan-6-amine (PubChem CID 138474050) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine.

Molecular Properties

Compound Name6-(2-aminopropoxy)-7-ethenyldodecan-6-amine
PubChem CID138474050
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name6-(2-aminopropoxy)-7-ethenyldodecan-6-amine
SMILESC=CC(CCCCC)C(N)(CCCCC)OCC(C)N
InChIInChI=1S/C17H36N2O/c1-5-8-10-12-16(7-3)17(19,13-11-9-6-2)20-14-15(4)18/h7,15-16H,3,5-6,8-14,18-19H2,1-2,4H3
InChIKeyDRTQTDMYRNZVGH-UHFFFAOYSA-N
XLogP3.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine?
The IUPAC name of 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine (CID 138474050) is 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine.
What is the SMILES notation for 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine?
The canonical SMILES for 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine is C=CC(CCCCC)C(N)(CCCCC)OCC(C)N.
What is the InChIKey of 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine?
The InChIKey is DRTQTDMYRNZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-8-10-12-16(7-3)17(19,13-11-9-6-2)20-14-15(4)18/h7,15-16H,3,5-6,8-14,18-19H2,1-2,4H3.
What are the key properties of 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine?
6-(2-aminopropoxy)-7-ethenyldodecan-6-amine has a molecular weight of 284.49 g/mol, XLogP of 3.97, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropoxy)-7-ethenyldodecan-6-amine is sourced from PubChem (CID 138474050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).