(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine

C13H24N2 — CID 89390271

IUPAC(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
SMILESCC/C=C(C)\C(NC)=C(\C)CC/C=N/C
InChIInChI=1S/C13H24N2/c1-6-8-11(2)13(15-5)12(3)9-7-10-14-4/h8,10,15H,6-7,9H2,1-5H3/b11-8-,13-12+,14-10+
InChIKeyZSCJJUQBIVSUSH-AOQPUXRJSA-N
MW208.35 g/mol
LogP3.32
Rot. Bonds6

About (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine

(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine (PubChem CID 89390271) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine.

Molecular Properties

Compound Name(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
PubChem CID89390271
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
SMILESCC/C=C(C)\C(NC)=C(\C)CC/C=N/C
InChIInChI=1S/C13H24N2/c1-6-8-11(2)13(15-5)12(3)9-7-10-14-4/h8,10,15H,6-7,9H2,1-5H3/b11-8-,13-12+,14-10+
InChIKeyZSCJJUQBIVSUSH-AOQPUXRJSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine?
The IUPAC name of (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine (CID 89390271) is (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine.
What is the SMILES notation for (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine?
The canonical SMILES for (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine is CC/C=C(C)\C(NC)=C(\C)CC/C=N/C.
What is the InChIKey of (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine?
The InChIKey is ZSCJJUQBIVSUSH-AOQPUXRJSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-11(2)13(15-5)12(3)9-7-10-14-4/h8,10,15H,6-7,9H2,1-5H3/b11-8-,13-12+,14-10+.
What are the key properties of (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine?
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine has a molecular weight of 208.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine is sourced from PubChem (CID 89390271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).