(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine

C15H21N — CID 10608725

IUPAC(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
SMILESCCC(N)(/C=C/C=C/c1ccccc1)CC
InChIInChI=1S/C15H21N/c1-3-15(16,4-2)13-9-8-12-14-10-6-5-7-11-14/h5-13H,3-4,16H2,1-2H3/b12-8+,13-9+
InChIKeyJZYGNVQCGOEGGO-QHKWOANTSA-N
MW215.34 g/mol
LogP3.77
Rot. Bonds5

About (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine

(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine (PubChem CID 10608725) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
PubChem CID10608725
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
SMILESCCC(N)(/C=C/C=C/c1ccccc1)CC
InChIInChI=1S/C15H21N/c1-3-15(16,4-2)13-9-8-12-14-10-6-5-7-11-14/h5-13H,3-4,16H2,1-2H3/b12-8+,13-9+
InChIKeyJZYGNVQCGOEGGO-QHKWOANTSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
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CID 124922219
4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)
CID 173264936
ethyl (4E)-5-phenylpenta-2,4-dienoate
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[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene
CID 122230138
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
ethyl-dimethyl-[(1E,3E)-4-phenylbuta-1,3-dienyl]silane
CID 101476587
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine?
The IUPAC name of (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine (CID 10608725) is (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine.
What is the SMILES notation for (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine?
The canonical SMILES for (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine is CCC(N)(/C=C/C=C/c1ccccc1)CC.
What is the InChIKey of (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine?
The InChIKey is JZYGNVQCGOEGGO-QHKWOANTSA-N. The full InChI is InChI=1S/C15H21N/c1-3-15(16,4-2)13-9-8-12-14-10-6-5-7-11-14/h5-13H,3-4,16H2,1-2H3/b12-8+,13-9+.
What are the key properties of (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine?
(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine has a molecular weight of 215.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine is sourced from PubChem (CID 10608725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).