(2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine

C14H23N — CID 126713539

IUPAC(2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine
SMILESC/C=C\C=C/[C@@H](C)N/C(C)=C/C=C\CC
InChIInChI=1S/C14H23N/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h5,7-13,15H,6H2,1-4H3/b7-5-,10-8-,11-9-,14-12+/t13-/m1/s1
InChIKeyZIFFOBGQBOXQMU-YRCSNXRTSA-N
MW205.34 g/mol
LogP3.97
Rot. Bonds6

About (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine

(2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine (PubChem CID 126713539) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine
PubChem CID126713539
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine
SMILESC/C=C\C=C/[C@@H](C)N/C(C)=C/C=C\CC
InChIInChI=1S/C14H23N/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h5,7-13,15H,6H2,1-4H3/b7-5-,10-8-,11-9-,14-12+/t13-/m1/s1
InChIKeyZIFFOBGQBOXQMU-YRCSNXRTSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine (CID 126713539) is (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine is C/C=C\C=C/[C@@H](C)N/C(C)=C/C=C\CC.
What is the InChIKey of (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine?
The InChIKey is ZIFFOBGQBOXQMU-YRCSNXRTSA-N. The full InChI is InChI=1S/C14H23N/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h5,7-13,15H,6H2,1-4H3/b7-5-,10-8-,11-9-,14-12+/t13-/m1/s1.
What are the key properties of (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine?
(2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(2R,3Z,5Z)-hepta-3,5-dien-2-yl]hepta-2,4-dien-2-amine is sourced from PubChem (CID 126713539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).