6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine

C12H27NO2 — CID 173130893

IUPAC6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine
SMILESCCOCCC(CCCN)CCOCC
InChIInChI=1S/C12H27NO2/c1-3-14-10-7-12(6-5-9-13)8-11-15-4-2/h12H,3-11,13H2,1-2H3
InChIKeySGTFKURUWMOAJC-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds11

About 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine

6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine (PubChem CID 173130893) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine
PubChem CID173130893
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine
SMILESCCOCCC(CCCN)CCOCC
InChIInChI=1S/C12H27NO2/c1-3-14-10-7-12(6-5-9-13)8-11-15-4-2/h12H,3-11,13H2,1-2H3
InChIKeySGTFKURUWMOAJC-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine?
The IUPAC name of 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine (CID 173130893) is 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine.
What is the SMILES notation for 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine?
The canonical SMILES for 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine is CCOCCC(CCCN)CCOCC.
What is the InChIKey of 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine?
The InChIKey is SGTFKURUWMOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-14-10-7-12(6-5-9-13)8-11-15-4-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine?
6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-(2-ethoxyethyl)hexan-1-amine is sourced from PubChem (CID 173130893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).