2-ethoxy-N,5-dimethylhex-5-en-3-amine

C10H21NO — CID 79185717

IUPAC2-ethoxy-N,5-dimethylhex-5-en-3-amine
SMILESC=C(C)CC(NC)C(C)OCC
InChIInChI=1S/C10H21NO/c1-6-12-9(4)10(11-5)7-8(2)3/h9-11H,2,6-7H2,1,3-5H3
InChIKeyFBPXWIGWFABFNJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About 2-ethoxy-N,5-dimethylhex-5-en-3-amine

2-ethoxy-N,5-dimethylhex-5-en-3-amine (PubChem CID 79185717) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethoxy-N,5-dimethylhex-5-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N,5-dimethylhex-5-en-3-amine
PubChem CID79185717
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethoxy-N,5-dimethylhex-5-en-3-amine
SMILESC=C(C)CC(NC)C(C)OCC
InChIInChI=1S/C10H21NO/c1-6-12-9(4)10(11-5)7-8(2)3/h9-11H,2,6-7H2,1,3-5H3
InChIKeyFBPXWIGWFABFNJ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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-N,5-dimethylhex-5-en-3-amine?
The IUPAC name of 2-ethoxy-N,5-dimethylhex-5-en-3-amine (CID 79185717) is 2-ethoxy-N,5-dimethylhex-5-en-3-amine.
What is the SMILES notation for 2-ethoxy-N,5-dimethylhex-5-en-3-amine?
The canonical SMILES for 2-ethoxy-N,5-dimethylhex-5-en-3-amine is C=C(C)CC(NC)C(C)OCC.
What is the InChIKey of 2-ethoxy-N,5-dimethylhex-5-en-3-amine?
The InChIKey is FBPXWIGWFABFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-12-9(4)10(11-5)7-8(2)3/h9-11H,2,6-7H2,1,3-5H3.
What are the key properties of 2-ethoxy-N,5-dimethylhex-5-en-3-amine?
2-ethoxy-N,5-dimethylhex-5-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,5-dimethylhex-5-en-3-amine is sourced from PubChem (CID 79185717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).