(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane

C12H26N2 — CID 142048344

IUPAC(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane
SMILESC=CC(C(N)/C=C\CC)N(C)C.CC
InChIInChI=1S/C10H20N2.C2H6/c1-5-7-8-9(11)10(6-2)12(3)4;1-2/h6-10H,2,5,11H2,1,3-4H3;1-2H3/b8-7-;
InChIKeyRGKZEOOQYBUVKH-CFYXSCKTSA-N
MW198.35 g/mol
LogP2.42
Rot. Bonds5

About (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane

(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane (PubChem CID 142048344) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane.

Molecular Properties

Compound Name(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane
PubChem CID142048344
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane
SMILESC=CC(C(N)/C=C\CC)N(C)C.CC
InChIInChI=1S/C10H20N2.C2H6/c1-5-7-8-9(11)10(6-2)12(3)4;1-2/h6-10H,2,5,11H2,1,3-4H3;1-2H3/b8-7-;
InChIKeyRGKZEOOQYBUVKH-CFYXSCKTSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane?
The IUPAC name of (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane (CID 142048344) is (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane.
What is the SMILES notation for (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane?
The canonical SMILES for (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane is C=CC(C(N)/C=C\CC)N(C)C.CC.
What is the InChIKey of (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane?
The InChIKey is RGKZEOOQYBUVKH-CFYXSCKTSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-5-7-8-9(11)10(6-2)12(3)4;1-2/h6-10H,2,5,11H2,1,3-4H3;1-2H3/b8-7-;.
What are the key properties of (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane?
(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane has a molecular weight of 198.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane is sourced from PubChem (CID 142048344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).