(2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine

C9H15NO — CID 143555592

IUPAC(2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine
SMILESC=C/C=C(OC)\C(=C/C)CN
InChIInChI=1S/C9H15NO/c1-4-6-9(11-3)8(5-2)7-10/h4-6H,1,7,10H2,2-3H3/b8-5-,9-6+
InChIKeyIEFKYRXAHDJKLY-LDFAFZTOSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds4

About (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine

(2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine (PubChem CID 143555592) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine
PubChem CID143555592
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine
SMILESC=C/C=C(OC)\C(=C/C)CN
InChIInChI=1S/C9H15NO/c1-4-6-9(11-3)8(5-2)7-10/h4-6H,1,7,10H2,2-3H3/b8-5-,9-6+
InChIKeyIEFKYRXAHDJKLY-LDFAFZTOSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
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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Related Compounds

(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 156716176
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
2-(2H-furan-2-id-5-yl)prop-2-en-1-amine;tungsten
CID 58696120
(7-methoxy-3H-isochromen-4-yl)methanamine
CID 88111455
(2E,3Z)-5-cyclohexa-1,3-dien-1-yloxy-2-ethylidenehexa-3,5-dien-1-amine
CID 88274875
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
(1Z,3Z)-5-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89126573
(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
CID 89139574
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89153922

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine?
The IUPAC name of (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine (CID 143555592) is (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine.
What is the SMILES notation for (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine?
The canonical SMILES for (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine is C=C/C=C(OC)\C(=C/C)CN.
What is the InChIKey of (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine?
The InChIKey is IEFKYRXAHDJKLY-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-9(11-3)8(5-2)7-10/h4-6H,1,7,10H2,2-3H3/b8-5-,9-6+.
What are the key properties of (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine?
(2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-3-methoxyhexa-3,5-dien-1-amine is sourced from PubChem (CID 143555592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).