(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine

C11H19NO — CID 89319215

IUPAC(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine
SMILESC=C(/C=C\C=C/CN)OC(C)CC
InChIInChI=1S/C11H19NO/c1-4-10(2)13-11(3)8-6-5-7-9-12/h5-8,10H,3-4,9,12H2,1-2H3/b7-5-,8-6-
InChIKeyZRBMIHSNAUZPSM-SFECMWDFSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds6

About (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine

(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine (PubChem CID 89319215) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine
PubChem CID89319215
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine
SMILESC=C(/C=C\C=C/CN)OC(C)CC
InChIInChI=1S/C11H19NO/c1-4-10(2)13-11(3)8-6-5-7-9-12/h5-8,10H,3-4,9,12H2,1-2H3/b7-5-,8-6-
InChIKeyZRBMIHSNAUZPSM-SFECMWDFSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
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 (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine (CID 89319215) is (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine is C=C(/C=C\C=C/CN)OC(C)CC.
What is the InChIKey of (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine?
The InChIKey is ZRBMIHSNAUZPSM-SFECMWDFSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(2)13-11(3)8-6-5-7-9-12/h5-8,10H,3-4,9,12H2,1-2H3/b7-5-,8-6-.
What are the key properties of (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine?
(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 89319215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).