(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine

C12H21NO — CID 89153966

IUPAC(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine
SMILESC=C/C(=C\C(N)CC)OC1CCCC1
InChIInChI=1S/C12H21NO/c1-3-10(13)9-11(4-2)14-12-7-5-6-8-12/h4,9-10,12H,2-3,5-8,13H2,1H3/b11-9+
InChIKeyIQUYPGPPNXETKI-PKNBQFBNSA-N
MW195.31 g/mol
LogP2.75
Rot. Bonds5

About (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine

(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine (PubChem CID 89153966) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine
PubChem CID89153966
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine
SMILESC=C/C(=C\C(N)CC)OC1CCCC1
InChIInChI=1S/C12H21NO/c1-3-10(13)9-11(4-2)14-12-7-5-6-8-12/h4,9-10,12H,2-3,5-8,13H2,1H3/b11-9+
InChIKeyIQUYPGPPNXETKI-PKNBQFBNSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.75
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 (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine?
The IUPAC name of (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine (CID 89153966) is (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine.
What is the SMILES notation for (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine?
The canonical SMILES for (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine is C=C/C(=C\C(N)CC)OC1CCCC1.
What is the InChIKey of (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine?
The InChIKey is IQUYPGPPNXETKI-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-10(13)9-11(4-2)14-12-7-5-6-8-12/h4,9-10,12H,2-3,5-8,13H2,1H3/b11-9+.
What are the key properties of (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine?
(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine is sourced from PubChem (CID 89153966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).