(1E)-1-(2-methyliminocyclononylidene)propan-1-amine

C13H24N2 — CID 139454446

IUPAC(1E)-1-(2-methyliminocyclononylidene)propan-1-amine
SMILESCC/C(N)=C1/CCCCCCC/C1=N\C
InChIInChI=1S/C13H24N2/c1-3-12(14)11-9-7-5-4-6-8-10-13(11)15-2/h3-10,14H2,1-2H3/b12-11+,15-13+
InChIKeyJMZSCPZCRFHYDR-NOVYJZLUSA-N
MW208.35 g/mol
LogP3.42
Rot. Bonds1

About (1E)-1-(2-methyliminocyclononylidene)propan-1-amine

(1E)-1-(2-methyliminocyclononylidene)propan-1-amine (PubChem CID 139454446) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (1E)-1-(2-methyliminocyclononylidene)propan-1-amine.

Molecular Properties

Compound Name(1E)-1-(2-methyliminocyclononylidene)propan-1-amine
PubChem CID139454446
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(1E)-1-(2-methyliminocyclononylidene)propan-1-amine
SMILESCC/C(N)=C1/CCCCCCC/C1=N\C
InChIInChI=1S/C13H24N2/c1-3-12(14)11-9-7-5-4-6-8-10-13(11)15-2/h3-10,14H2,1-2H3/b12-11+,15-13+
InChIKeyJMZSCPZCRFHYDR-NOVYJZLUSA-N
XLogP3.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-methyliminocyclononylidene)propan-1-amine?
The IUPAC name of (1E)-1-(2-methyliminocyclononylidene)propan-1-amine (CID 139454446) is (1E)-1-(2-methyliminocyclononylidene)propan-1-amine.
What is the SMILES notation for (1E)-1-(2-methyliminocyclononylidene)propan-1-amine?
The canonical SMILES for (1E)-1-(2-methyliminocyclononylidene)propan-1-amine is CC/C(N)=C1/CCCCCCC/C1=N\C.
What is the InChIKey of (1E)-1-(2-methyliminocyclononylidene)propan-1-amine?
The InChIKey is JMZSCPZCRFHYDR-NOVYJZLUSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-12(14)11-9-7-5-4-6-8-10-13(11)15-2/h3-10,14H2,1-2H3/b12-11+,15-13+.
What are the key properties of (1E)-1-(2-methyliminocyclononylidene)propan-1-amine?
(1E)-1-(2-methyliminocyclononylidene)propan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-methyliminocyclononylidene)propan-1-amine is sourced from PubChem (CID 139454446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).