(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine

C13H17NO — CID 167209695

IUPAC(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine
SMILESC=C(OC)/C(=c1/ccccc1=C)N(C)C
InChIInChI=1S/C13H17NO/c1-10-8-6-7-9-12(10)13(14(3)4)11(2)15-5/h6-9H,1-2H2,3-5H3/b13-12+
InChIKeyXGZWMKFFWBDZRY-OUKQBFOZSA-N
MW203.28 g/mol
LogP0.93
Rot. Bonds3

About (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine

(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine (PubChem CID 167209695) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine.

Molecular Properties

Compound Name(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine
PubChem CID167209695
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine
SMILESC=C(OC)/C(=c1/ccccc1=C)N(C)C
InChIInChI=1S/C13H17NO/c1-10-8-6-7-9-12(10)13(14(3)4)11(2)15-5/h6-9H,1-2H2,3-5H3/b13-12+
InChIKeyXGZWMKFFWBDZRY-OUKQBFOZSA-N
XLogP0.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine 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 (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine?
The IUPAC name of (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine (CID 167209695) is (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine.
What is the SMILES notation for (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine?
The canonical SMILES for (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine is C=C(OC)/C(=c1/ccccc1=C)N(C)C.
What is the InChIKey of (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine?
The InChIKey is XGZWMKFFWBDZRY-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-6-7-9-12(10)13(14(3)4)11(2)15-5/h6-9H,1-2H2,3-5H3/b13-12+.
What are the key properties of (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine?
(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine is sourced from PubChem (CID 167209695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).