(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine

C15H21N — CID 58536325

IUPAC(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine
SMILESC=CC(C/C=C/C1C=CC=CC1)N/C=C/C
InChIInChI=1S/C15H21N/c1-3-13-16-15(4-2)12-8-11-14-9-6-5-7-10-14/h3-9,11,13-16H,2,10,12H2,1H3/b11-8+,13-3+
InChIKeyWVOATKRUOHWTTP-DGKXCYHASA-N
MW215.34 g/mol
LogP3.74
Rot. Bonds6

About (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine

(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine (PubChem CID 58536325) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine
PubChem CID58536325
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine
SMILESC=CC(C/C=C/C1C=CC=CC1)N/C=C/C
InChIInChI=1S/C15H21N/c1-3-13-16-15(4-2)12-8-11-14-9-6-5-7-10-14/h3-9,11,13-16H,2,10,12H2,1H3/b11-8+,13-3+
InChIKeyWVOATKRUOHWTTP-DGKXCYHASA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine?
The IUPAC name of (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine (CID 58536325) is (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine.
What is the SMILES notation for (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine?
The canonical SMILES for (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine is C=CC(C/C=C/C1C=CC=CC1)N/C=C/C.
What is the InChIKey of (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine?
The InChIKey is WVOATKRUOHWTTP-DGKXCYHASA-N. The full InChI is InChI=1S/C15H21N/c1-3-13-16-15(4-2)12-8-11-14-9-6-5-7-10-14/h3-9,11,13-16H,2,10,12H2,1H3/b11-8+,13-3+.
What are the key properties of (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine?
(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine has a molecular weight of 215.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine is sourced from PubChem (CID 58536325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).