(2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine

C14H23N3 — CID 130220821

IUPAC(2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine
SMILESC=CCN(CC=C)C/C=C\C=C(N)/C=C(\C)N
InChIInChI=1S/C14H23N3/c1-4-9-17(10-5-2)11-7-6-8-14(16)12-13(3)15/h4-8,12H,1-2,9-11,15-16H2,3H3/b7-6-,13-12+,14-8+
InChIKeySFPRXJSKFZOOIL-ZEUGETGJSA-N
MW233.36 g/mol
LogP1.92
Rot. Bonds8

About (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine

(2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine (PubChem CID 130220821) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine.

Molecular Properties

Compound Name(2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine
PubChem CID130220821
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine
SMILESC=CCN(CC=C)C/C=C\C=C(N)/C=C(\C)N
InChIInChI=1S/C14H23N3/c1-4-9-17(10-5-2)11-7-6-8-14(16)12-13(3)15/h4-8,12H,1-2,9-11,15-16H2,3H3/b7-6-,13-12+,14-8+
InChIKeySFPRXJSKFZOOIL-ZEUGETGJSA-N
XLogP1.92
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
The IUPAC name of (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine (CID 130220821) is (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine.
What is the SMILES notation for (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
The canonical SMILES for (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine is C=CCN(CC=C)C/C=C\C=C(N)/C=C(\C)N.
What is the InChIKey of (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
The InChIKey is SFPRXJSKFZOOIL-ZEUGETGJSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-9-17(10-5-2)11-7-6-8-14(16)12-13(3)15/h4-8,12H,1-2,9-11,15-16H2,3H3/b7-6-,13-12+,14-8+.
What are the key properties of (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
(2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine has a molecular weight of 233.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-1-N,1-N-bis(prop-2-enyl)octa-2,4,6-triene-1,5,7-triamine is sourced from PubChem (CID 130220821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).