N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide

C14H28N2O — CID 55158630

IUPACN'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide
SMILESCC(C)CCOCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)8-10-17-11-9-16-14(15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H2,15,16)
InChIKeyMCZOMLJNMSGGPJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.99
Rot. Bonds7

About N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide

N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide (PubChem CID 55158630) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide
PubChem CID55158630
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide
SMILESCC(C)CCOCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)8-10-17-11-9-16-14(15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H2,15,16)
InChIKeyMCZOMLJNMSGGPJ-UHFFFAOYSA-N
XLogP2.99
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide (CID 55158630) is N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide is CC(C)CCOCC/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide?
The InChIKey is MCZOMLJNMSGGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)8-10-17-11-9-16-14(15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide?
N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide has a molecular weight of 240.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide is sourced from PubChem (CID 55158630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).