(1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine

C9H17NO — CID 10749413

IUPAC(1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine
SMILESC=CCC(/C=C/N(C)C)OC
InChIInChI=1S/C9H17NO/c1-5-6-9(11-4)7-8-10(2)3/h5,7-9H,1,6H2,2-4H3/b8-7+
InChIKeyODNCVMAMVHEFEF-BQYQJAHWSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds5

About (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine

(1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine (PubChem CID 10749413) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine
PubChem CID10749413
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine
SMILESC=CCC(/C=C/N(C)C)OC
InChIInChI=1S/C9H17NO/c1-5-6-9(11-4)7-8-10(2)3/h5,7-9H,1,6H2,2-4H3/b8-7+
InChIKeyODNCVMAMVHEFEF-BQYQJAHWSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
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 (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine?
The IUPAC name of (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine (CID 10749413) is (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine?
The canonical SMILES for (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine is C=CCC(/C=C/N(C)C)OC.
What is the InChIKey of (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine?
The InChIKey is ODNCVMAMVHEFEF-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-9(11-4)7-8-10(2)3/h5,7-9H,1,6H2,2-4H3/b8-7+.
What are the key properties of (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine?
(1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-methoxy-N,N-dimethylhexa-1,5-dien-1-amine is sourced from PubChem (CID 10749413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).