(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine

C13H21NO — CID 163661840

IUPAC(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
SMILESC=CC(/C(=C/OC)N(C)C)=C(C)\C=C/C
InChIInChI=1S/C13H21NO/c1-7-9-11(3)12(8-2)13(10-15-6)14(4)5/h7-10H,2H2,1,3-6H3/b9-7-,12-11+,13-10-
InChIKeyIVCFVKQIUAFYRD-OPEMXFNFSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds5

About (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine

(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine (PubChem CID 163661840) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
PubChem CID163661840
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
SMILESC=CC(/C(=C/OC)N(C)C)=C(C)\C=C/C
InChIInChI=1S/C13H21NO/c1-7-9-11(3)12(8-2)13(10-15-6)14(4)5/h7-10H,2H2,1,3-6H3/b9-7-,12-11+,13-10-
InChIKeyIVCFVKQIUAFYRD-OPEMXFNFSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine with MolForge

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Related Compounds

(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine
CID 134921134
1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine
CID 57067395
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
CID 135181456
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
CID 135276508
(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine
CID 142050801
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
CID 143406798
(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane
CID 145166301
2-methyl-3-[(3E,5Z)-octa-3,5,7-trien-4-yl]oxazine
CID 155027621

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine?
The IUPAC name of (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine (CID 163661840) is (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine is C=CC(/C(=C/OC)N(C)C)=C(C)\C=C/C.
What is the InChIKey of (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine?
The InChIKey is IVCFVKQIUAFYRD-OPEMXFNFSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-9-11(3)12(8-2)13(10-15-6)14(4)5/h7-10H,2H2,1,3-6H3/b9-7-,12-11+,13-10-.
What are the key properties of (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine?
(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 163661840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).