N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide

C13H22N2 — CID 88596857

IUPACN-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
SMILESC=C(C)C(=C)/C(=N\C)NC1CCCCC1
InChIInChI=1S/C13H22N2/c1-10(2)11(3)13(14-4)15-12-8-6-5-7-9-12/h12H,1,3,5-9H2,2,4H3,(H,14,15)
InChIKeyDOMNRBJAGYHDKB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds3

About N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide

N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide (PubChem CID 88596857) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide.

Molecular Properties

Compound NameN-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
PubChem CID88596857
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
SMILESC=C(C)C(=C)/C(=N\C)NC1CCCCC1
InChIInChI=1S/C13H22N2/c1-10(2)11(3)13(14-4)15-12-8-6-5-7-9-12/h12H,1,3,5-9H2,2,4H3,(H,14,15)
InChIKeyDOMNRBJAGYHDKB-UHFFFAOYSA-N
XLogP3.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide?
The IUPAC name of N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide (CID 88596857) is N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide.
What is the SMILES notation for N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide?
The canonical SMILES for N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide is C=C(C)C(=C)/C(=N\C)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide?
The InChIKey is DOMNRBJAGYHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)11(3)13(14-4)15-12-8-6-5-7-9-12/h12H,1,3,5-9H2,2,4H3,(H,14,15).
What are the key properties of N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide?
N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide has a molecular weight of 206.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide is sourced from PubChem (CID 88596857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).