(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine

C14H23NO — CID 54179767

IUPAC(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
SMILESCCN(C)C/C=C/C(=C/C(C)=C1CC1)OC
InChIInChI=1S/C14H23NO/c1-5-15(3)10-6-7-14(16-4)11-12(2)13-8-9-13/h6-7,11H,5,8-10H2,1-4H3/b7-6+,14-11-
InChIKeyPAZIQXQDSLYPGM-SAVKCZEGSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds6

About (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine

(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine (PubChem CID 54179767) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
PubChem CID54179767
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
SMILESCCN(C)C/C=C/C(=C/C(C)=C1CC1)OC
InChIInChI=1S/C14H23NO/c1-5-15(3)10-6-7-14(16-4)11-12(2)13-8-9-13/h6-7,11H,5,8-10H2,1-4H3/b7-6+,14-11-
InChIKeyPAZIQXQDSLYPGM-SAVKCZEGSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine (CID 54179767) is (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine is CCN(C)C/C=C/C(=C/C(C)=C1CC1)OC.
What is the InChIKey of (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine?
The InChIKey is PAZIQXQDSLYPGM-SAVKCZEGSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15(3)10-6-7-14(16-4)11-12(2)13-8-9-13/h6-7,11H,5,8-10H2,1-4H3/b7-6+,14-11-.
What are the key properties of (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine?
(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 54179767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).