(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine

C12H19NO — CID 89074125

IUPAC(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(\C=C/C)OC1CCCC1
InChIInChI=1S/C12H19NO/c1-3-6-12(9-10(2)13)14-11-7-4-5-8-11/h3,6,9,11H,2,4-5,7-8,13H2,1H3/b6-3-,12-9+
InChIKeyVTRQSLQNNXPMLA-GPIRXWPPSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds4

About (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine

(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine (PubChem CID 89074125) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine
PubChem CID89074125
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(\C=C/C)OC1CCCC1
InChIInChI=1S/C12H19NO/c1-3-6-12(9-10(2)13)14-11-7-4-5-8-11/h3,6,9,11H,2,4-5,7-8,13H2,1H3/b6-3-,12-9+
InChIKeyVTRQSLQNNXPMLA-GPIRXWPPSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.88
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 (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine (CID 89074125) is (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine is C=C(N)/C=C(\C=C/C)OC1CCCC1.
What is the InChIKey of (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine?
The InChIKey is VTRQSLQNNXPMLA-GPIRXWPPSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-12(9-10(2)13)14-11-7-4-5-8-11/h3,6,9,11H,2,4-5,7-8,13H2,1H3/b6-3-,12-9+.
What are the key properties of (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine?
(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 89074125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).