ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane

C18H41NO — CID 144528750

IUPACethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane
SMILESCC.CC.CCC/C(=C\C=C(C)C)N(C)CC.COC
InChIInChI=1S/C12H23N.C2H6O.2C2H6/c1-6-8-12(13(5)7-2)10-9-11(3)4;1-3-2;2*1-2/h9-10H,6-8H2,1-5H3;1-2H3;2*1-2H3/b12-10+;;;
InChIKeyPEUIXRDOIGPUIV-AKMNYRKMSA-N
MW287.53 g/mol
LogP5.90
Rot. Bonds5

About ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane

ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane (PubChem CID 144528750) has the molecular formula C18H41NO and a molecular weight of 287.53 g/mol. Its IUPAC name is ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane.

Molecular Properties

Compound Nameethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane
PubChem CID144528750
Molecular FormulaC18H41NO
Molecular Weight287.53 g/mol
Exact Mass287.32
IUPAC Nameethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane
SMILESCC.CC.CCC/C(=C\C=C(C)C)N(C)CC.COC
InChIInChI=1S/C12H23N.C2H6O.2C2H6/c1-6-8-12(13(5)7-2)10-9-11(3)4;1-3-2;2*1-2/h9-10H,6-8H2,1-5H3;1-2H3;2*1-2H3/b12-10+;;;
InChIKeyPEUIXRDOIGPUIV-AKMNYRKMSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.53
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane 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 ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane?
The IUPAC name of ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane (CID 144528750) is ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane.
What is the SMILES notation for ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane?
The canonical SMILES for ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane is CC.CC.CCC/C(=C\C=C(C)C)N(C)CC.COC.
What is the InChIKey of ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane?
The InChIKey is PEUIXRDOIGPUIV-AKMNYRKMSA-N. The full InChI is InChI=1S/C12H23N.C2H6O.2C2H6/c1-6-8-12(13(5)7-2)10-9-11(3)4;1-3-2;2*1-2/h9-10H,6-8H2,1-5H3;1-2H3;2*1-2H3/b12-10+;;;.
What are the key properties of ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane?
ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane has a molecular weight of 287.53 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-N-ethyl-N,7-dimethylocta-4,6-dien-4-amine;methoxymethane is sourced from PubChem (CID 144528750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).