(2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide

C13H25N3O — CID 135042778

IUPAC(2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCCC/C1=N\N(C)C
InChIInChI=1S/C13H25N3O/c1-5-16(6-2)13(17)11-9-7-8-10-12(11)14-15(3)4/h11H,5-10H2,1-4H3/b14-12+
InChIKeyYLPBIXMKRIOUBT-WYMLVPIESA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds4

About (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide

(2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 135042778) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide
PubChem CID135042778
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCCC/C1=N\N(C)C
InChIInChI=1S/C13H25N3O/c1-5-16(6-2)13(17)11-9-7-8-10-12(11)14-15(3)4/h11H,5-10H2,1-4H3/b14-12+
InChIKeyYLPBIXMKRIOUBT-WYMLVPIESA-N
XLogP1.96
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide (CID 135042778) is (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1CCCC/C1=N\N(C)C.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is YLPBIXMKRIOUBT-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-16(6-2)13(17)11-9-7-8-10-12(11)14-15(3)4/h11H,5-10H2,1-4H3/b14-12+.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide?
(2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 135042778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).