(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine

C8H13NO — CID 145478870

IUPAC(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C=C/OCC
InChIInChI=1S/C8H13NO/c1-3-10-7-5-4-6-8(2)9/h4-7H,2-3,9H2,1H3/b6-4-,7-5-
InChIKeyGQMHTGTZPATWMA-PEPZGXQESA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds4

About (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine

(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine (PubChem CID 145478870) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine
PubChem CID145478870
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C=C/OCC
InChIInChI=1S/C8H13NO/c1-3-10-7-5-4-6-8(2)9/h4-7H,2-3,9H2,1H3/b6-4-,7-5-
InChIKeyGQMHTGTZPATWMA-PEPZGXQESA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.57
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

(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
CID 173489040
Oxepin-4-amine
CID 85985738
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
CID 88558814
(1E,3E,5Z)-1-methoxyhepta-1,3,5-trien-3-amine
CID 88590096
(3E,5Z)-7-methoxyhepta-1,3,5-trien-3-amine
CID 88925864
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
CID 89010016
(3E,5E)-6-methoxyhexa-3,5-dien-3-amine
CID 89073724
(1Z,3Z)-1-methoxyhexa-1,3,5-triene-1,2-diamine
CID 89198794
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(1E,3E,5E)-4-aminohepta-1,3,5-trien-1-ol
CID 134250424

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine (CID 145478870) is (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine is C=C(N)/C=C\C=C/OCC.
What is the InChIKey of (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine?
The InChIKey is GQMHTGTZPATWMA-PEPZGXQESA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-7-5-4-6-8(2)9/h4-7H,2-3,9H2,1H3/b6-4-,7-5-.
What are the key properties of (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine?
(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 145478870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).