(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine

C12H23NO — CID 174208388

IUPAC(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine
SMILESC=C(/C=C(/OC)C(NC)C(C)C)CC
InChIInChI=1S/C12H23NO/c1-7-10(4)8-11(14-6)12(13-5)9(2)3/h8-9,12-13H,4,7H2,1-3,5-6H3/b11-8+
InChIKeyIDAFCZOQDJUTMY-DHZHZOJOSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds6

About (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine

(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine (PubChem CID 174208388) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine.

Molecular Properties

Compound Name(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine
PubChem CID174208388
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine
SMILESC=C(/C=C(/OC)C(NC)C(C)C)CC
InChIInChI=1S/C12H23NO/c1-7-10(4)8-11(14-6)12(13-5)9(2)3/h8-9,12-13H,4,7H2,1-3,5-6H3/b11-8+
InChIKeyIDAFCZOQDJUTMY-DHZHZOJOSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine?
The IUPAC name of (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine (CID 174208388) is (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine.
What is the SMILES notation for (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine?
The canonical SMILES for (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine is C=C(/C=C(/OC)C(NC)C(C)C)CC.
What is the InChIKey of (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine?
The InChIKey is IDAFCZOQDJUTMY-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-10(4)8-11(14-6)12(13-5)9(2)3/h8-9,12-13H,4,7H2,1-3,5-6H3/b11-8+.
What are the key properties of (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine?
(E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N,2-dimethyl-6-methylideneoct-4-en-3-amine is sourced from PubChem (CID 174208388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).