N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide

C12H24N2O — CID 104766078

IUPACN'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide
SMILESCOC(C)(C)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,15-3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyHGKHFNQWLZRSFQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.35
Rot. Bonds4

About N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide

N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide (PubChem CID 104766078) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide
PubChem CID104766078
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide
SMILESCOC(C)(C)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,15-3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyHGKHFNQWLZRSFQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-2-methylpropyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide (CID 104766078) is N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide is COC(C)(C)C/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide?
The InChIKey is HGKHFNQWLZRSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,15-3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide?
N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide has a molecular weight of 212.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide is sourced from PubChem (CID 104766078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).