2-ethoxy-N-methylhept-6-yn-3-amine

C10H19NO — CID 64532782

IUPAC2-ethoxy-N-methylhept-6-yn-3-amine
SMILESC#CCCC(NC)C(C)OCC
InChIInChI=1S/C10H19NO/c1-5-7-8-10(11-4)9(3)12-6-2/h1,9-11H,6-8H2,2-4H3
InChIKeyAJVBFLFYWOIIMJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds6

About 2-ethoxy-N-methylhept-6-yn-3-amine

2-ethoxy-N-methylhept-6-yn-3-amine (PubChem CID 64532782) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-ethoxy-N-methylhept-6-yn-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-methylhept-6-yn-3-amine
PubChem CID64532782
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-ethoxy-N-methylhept-6-yn-3-amine
SMILESC#CCCC(NC)C(C)OCC
InChIInChI=1S/C10H19NO/c1-5-7-8-10(11-4)9(3)12-6-2/h1,9-11H,6-8H2,2-4H3
InChIKeyAJVBFLFYWOIIMJ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methylhept-6-yn-3-amine?
The IUPAC name of 2-ethoxy-N-methylhept-6-yn-3-amine (CID 64532782) is 2-ethoxy-N-methylhept-6-yn-3-amine.
What is the SMILES notation for 2-ethoxy-N-methylhept-6-yn-3-amine?
The canonical SMILES for 2-ethoxy-N-methylhept-6-yn-3-amine is C#CCCC(NC)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-methylhept-6-yn-3-amine?
The InChIKey is AJVBFLFYWOIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-8-10(11-4)9(3)12-6-2/h1,9-11H,6-8H2,2-4H3.
What are the key properties of 2-ethoxy-N-methylhept-6-yn-3-amine?
2-ethoxy-N-methylhept-6-yn-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methylhept-6-yn-3-amine is sourced from PubChem (CID 64532782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).