(3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine

C13H22N2 — CID 134377543

IUPAC(3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine
SMILESC=C(/C(C)=C\C)/C(C)=C(\NC)C(=C)NC
InChIInChI=1S/C13H22N2/c1-8-9(2)10(3)11(4)13(15-7)12(5)14-6/h8,14-15H,3,5H2,1-2,4,6-7H3/b9-8-,13-11-
InChIKeyXTNAOUPGQALNKO-KJAVDWBKSA-N
MW206.33 g/mol
LogP2.74
Rot. Bonds5

About (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine

(3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine (PubChem CID 134377543) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine.

Molecular Properties

Compound Name(3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine
PubChem CID134377543
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine
SMILESC=C(/C(C)=C\C)/C(C)=C(\NC)C(=C)NC
InChIInChI=1S/C13H22N2/c1-8-9(2)10(3)11(4)13(15-7)12(5)14-6/h8,14-15H,3,5H2,1-2,4,6-7H3/b9-8-,13-11-
InChIKeyXTNAOUPGQALNKO-KJAVDWBKSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
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 (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine?
The IUPAC name of (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine (CID 134377543) is (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine.
What is the SMILES notation for (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine?
The canonical SMILES for (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine is C=C(/C(C)=C\C)/C(C)=C(\NC)C(=C)NC.
What is the InChIKey of (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine?
The InChIKey is XTNAOUPGQALNKO-KJAVDWBKSA-N. The full InChI is InChI=1S/C13H22N2/c1-8-9(2)10(3)11(4)13(15-7)12(5)14-6/h8,14-15H,3,5H2,1-2,4,6-7H3/b9-8-,13-11-.
What are the key properties of (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine?
(3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-2-N,3-N,4,6-tetramethyl-5-methylideneocta-1,3,6-triene-2,3-diamine is sourced from PubChem (CID 134377543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).