3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine

C17H35NO — CID 91178045

IUPAC3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine
SMILESCC=CC(CC)CCCOC(CC)(CCC)CCN
InChIInChI=1S/C17H35NO/c1-5-10-16(7-3)11-9-15-19-17(8-4,12-6-2)13-14-18/h5,10,16H,6-9,11-15,18H2,1-4H3
InChIKeyPPMBHLVYSRXQLA-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.68
Rot. Bonds12

About 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine

3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine (PubChem CID 91178045) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine
PubChem CID91178045
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine
SMILESCC=CC(CC)CCCOC(CC)(CCC)CCN
InChIInChI=1S/C17H35NO/c1-5-10-16(7-3)11-9-15-19-17(8-4,12-6-2)13-14-18/h5,10,16H,6-9,11-15,18H2,1-4H3
InChIKeyPPMBHLVYSRXQLA-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
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 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine?
The IUPAC name of 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine (CID 91178045) is 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine.
What is the SMILES notation for 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine?
The canonical SMILES for 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine is CC=CC(CC)CCCOC(CC)(CCC)CCN.
What is the InChIKey of 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine?
The InChIKey is PPMBHLVYSRXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-10-16(7-3)11-9-15-19-17(8-4,12-6-2)13-14-18/h5,10,16H,6-9,11-15,18H2,1-4H3.
What are the key properties of 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine?
3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(4-ethylhept-5-enoxy)hexan-1-amine is sourced from PubChem (CID 91178045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).