2-ethoxy-5-methyl-N-propylhex-4-en-3-amine

C12H25NO — CID 79179691

IUPAC2-ethoxy-5-methyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)C(C)OCC
InChIInChI=1S/C12H25NO/c1-6-8-13-12(9-10(3)4)11(5)14-7-2/h9,11-13H,6-8H2,1-5H3
InChIKeyBORYTGADIRDIHW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds7

About 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine

2-ethoxy-5-methyl-N-propylhex-4-en-3-amine (PubChem CID 79179691) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-propylhex-4-en-3-amine
PubChem CID79179691
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethoxy-5-methyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)C(C)OCC
InChIInChI=1S/C12H25NO/c1-6-8-13-12(9-10(3)4)11(5)14-7-2/h9,11-13H,6-8H2,1-5H3
InChIKeyBORYTGADIRDIHW-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxy-5-methyl-N-propylhex-4-en-3-amine?
The IUPAC name of 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine (CID 79179691) is 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine.
What is the SMILES notation for 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine?
The canonical SMILES for 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine is CCCNC(C=C(C)C)C(C)OCC.
What is the InChIKey of 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine?
The InChIKey is BORYTGADIRDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-13-12(9-10(3)4)11(5)14-7-2/h9,11-13H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine?
2-ethoxy-5-methyl-N-propylhex-4-en-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-propylhex-4-en-3-amine is sourced from PubChem (CID 79179691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).