(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine

C9H15NO — CID 12735498

IUPAC(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine
SMILESCOC/C=C/C#CCN(C)C
InChIInChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9-11-3/h5,7H,8-9H2,1-3H3/b7-5+
InChIKeyWVFMHTCTCFHCIK-FNORWQNLSA-N
MW153.22 g/mol
LogP0.75
Rot. Bonds3

About (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine

(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine (PubChem CID 12735498) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine.

Molecular Properties

Compound Name(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine
PubChem CID12735498
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine
SMILESCOC/C=C/C#CCN(C)C
InChIInChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9-11-3/h5,7H,8-9H2,1-3H3/b7-5+
InChIKeyWVFMHTCTCFHCIK-FNORWQNLSA-N
XLogP0.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
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 (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine?
The IUPAC name of (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine (CID 12735498) is (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine.
What is the SMILES notation for (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine?
The canonical SMILES for (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine is COC/C=C/C#CCN(C)C.
What is the InChIKey of (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine?
The InChIKey is WVFMHTCTCFHCIK-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9-11-3/h5,7H,8-9H2,1-3H3/b7-5+.
What are the key properties of (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine?
(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine has a molecular weight of 153.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine is sourced from PubChem (CID 12735498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).