(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine

C10H17NO — CID 130254038

IUPAC(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine
SMILESCCCC#C/C(NC)=C(/C)OC
InChIInChI=1S/C10H17NO/c1-5-6-7-8-10(11-3)9(2)12-4/h11H,5-6H2,1-4H3/b10-9+
InChIKeyUDLMHSKBJGIHMM-MDZDMXLPSA-N
MW167.25 g/mol
LogP1.89
Rot. Bonds3

About (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine

(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine (PubChem CID 130254038) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine.

Molecular Properties

Compound Name(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine
PubChem CID130254038
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine
SMILESCCCC#C/C(NC)=C(/C)OC
InChIInChI=1S/C10H17NO/c1-5-6-7-8-10(11-3)9(2)12-4/h11H,5-6H2,1-4H3/b10-9+
InChIKeyUDLMHSKBJGIHMM-MDZDMXLPSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;(Z)-N-ethyl-3-methoxybut-2-en-2-amine
CID 141784323
ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine
CID 143610027

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine?
The IUPAC name of (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine (CID 130254038) is (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine.
What is the SMILES notation for (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine?
The canonical SMILES for (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine is CCCC#C/C(NC)=C(/C)OC.
What is the InChIKey of (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine?
The InChIKey is UDLMHSKBJGIHMM-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-7-8-10(11-3)9(2)12-4/h11H,5-6H2,1-4H3/b10-9+.
What are the key properties of (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine?
(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine has a molecular weight of 167.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine is sourced from PubChem (CID 130254038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).