(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine

C13H24N2 — CID 167113133

IUPAC(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine
SMILESCC/C=C\C(=C(N)/C=C(\C)CC)N(C)C
InChIInChI=1S/C13H24N2/c1-6-8-9-13(15(4)5)12(14)10-11(3)7-2/h8-10H,6-7,14H2,1-5H3/b9-8-,11-10+,13-12-
InChIKeyUABALWGONCTIOK-DIZFDERBSA-N
MW208.35 g/mol
LogP3.04
Rot. Bonds5

About (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine

(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine (PubChem CID 167113133) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine.

Molecular Properties

Compound Name(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine
PubChem CID167113133
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine
SMILESCC/C=C\C(=C(N)/C=C(\C)CC)N(C)C
InChIInChI=1S/C13H24N2/c1-6-8-9-13(15(4)5)12(14)10-11(3)7-2/h8-10H,6-7,14H2,1-5H3/b9-8-,11-10+,13-12-
InChIKeyUABALWGONCTIOK-DIZFDERBSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine?
The IUPAC name of (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine (CID 167113133) is (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine.
What is the SMILES notation for (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine?
The canonical SMILES for (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine is CC/C=C\C(=C(N)/C=C(\C)CC)N(C)C.
What is the InChIKey of (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine?
The InChIKey is UABALWGONCTIOK-DIZFDERBSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-9-13(15(4)5)12(14)10-11(3)7-2/h8-10H,6-7,14H2,1-5H3/b9-8-,11-10+,13-12-.
What are the key properties of (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine?
(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine has a molecular weight of 208.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine is sourced from PubChem (CID 167113133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).