N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine

C8H15NO — CID 130254325

IUPACN-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine
SMILESC/C=C\C=C\OC(C)NC
InChIInChI=1S/C8H15NO/c1-4-5-6-7-10-8(2)9-3/h4-9H,1-3H3/b5-4-,7-6+
InChIKeyUQELEMBBICXAKE-SCFJQAPRSA-N
MW141.21 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine

N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine (PubChem CID 130254325) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine
PubChem CID130254325
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine
SMILESC/C=C\C=C\OC(C)NC
InChIInChI=1S/C8H15NO/c1-4-5-6-7-10-8(2)9-3/h4-9H,1-3H3/b5-4-,7-6+
InChIKeyUQELEMBBICXAKE-SCFJQAPRSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine?
The IUPAC name of N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine (CID 130254325) is N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine.
What is the SMILES notation for N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine?
The canonical SMILES for N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine is C/C=C\C=C\OC(C)NC.
What is the InChIKey of N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine?
The InChIKey is UQELEMBBICXAKE-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7-10-8(2)9-3/h4-9H,1-3H3/b5-4-,7-6+.
What are the key properties of N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine?
N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine has a molecular weight of 141.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine is sourced from PubChem (CID 130254325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).