(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine

C10H17NO — CID 89130500

IUPAC(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine
SMILESC=C(/C=C/CC(C)C)O/C=C\N
InChIInChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)12-8-7-11/h4,6-9H,3,5,11H2,1-2H3/b6-4+,8-7-
InChIKeyWTDGXKNXBFLXAG-AQXDOAQYSA-N
MW167.25 g/mol
LogP2.55
Rot. Bonds5

About (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine

(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine (PubChem CID 89130500) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine.

Molecular Properties

Compound Name(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine
PubChem CID89130500
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine
SMILESC=C(/C=C/CC(C)C)O/C=C\N
InChIInChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)12-8-7-11/h4,6-9H,3,5,11H2,1-2H3/b6-4+,8-7-
InChIKeyWTDGXKNXBFLXAG-AQXDOAQYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.55
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 (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine?
The IUPAC name of (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine (CID 89130500) is (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine.
What is the SMILES notation for (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine?
The canonical SMILES for (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine is C=C(/C=C/CC(C)C)O/C=C\N.
What is the InChIKey of (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine?
The InChIKey is WTDGXKNXBFLXAG-AQXDOAQYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)12-8-7-11/h4,6-9H,3,5,11H2,1-2H3/b6-4+,8-7-.
What are the key properties of (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine?
(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine has a molecular weight of 167.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine is sourced from PubChem (CID 89130500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).