(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine

C13H24N2 — CID 137427574

IUPAC(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine
SMILESCC/C(C)=C\C=C=C(C(C)N)N(C)CC
InChIInChI=1S/C13H24N2/c1-6-11(3)9-8-10-13(12(4)14)15(5)7-2/h8-9,12H,6-7,14H2,1-5H3/b11-9-
InChIKeyAHHORYWPEBJJDM-LUAWRHEFSA-N
MW208.35 g/mol
LogP2.68
Rot. Bonds5

About (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine

(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine (PubChem CID 137427574) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine.

Molecular Properties

Compound Name(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine
PubChem CID137427574
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine
SMILESCC/C(C)=C\C=C=C(C(C)N)N(C)CC
InChIInChI=1S/C13H24N2/c1-6-11(3)9-8-10-13(12(4)14)15(5)7-2/h8-9,12H,6-7,14H2,1-5H3/b11-9-
InChIKeyAHHORYWPEBJJDM-LUAWRHEFSA-N
XLogP2.68
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 ≤ 52.68
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 (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine?
The IUPAC name of (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine (CID 137427574) is (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine.
What is the SMILES notation for (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine?
The canonical SMILES for (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine is CC/C(C)=C\C=C=C(C(C)N)N(C)CC.
What is the InChIKey of (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine?
The InChIKey is AHHORYWPEBJJDM-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-11(3)9-8-10-13(12(4)14)15(5)7-2/h8-9,12H,6-7,14H2,1-5H3/b11-9-.
What are the key properties of (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine?
(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine is sourced from PubChem (CID 137427574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).