1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide

C12H24N2O — CID 116780011

IUPAC1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide
SMILESCOC1(/C(N)=N/C(C)C)CCC(C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)14-11(13)12(15-4)7-5-10(3)6-8-12/h9-10H,5-8H2,1-4H3,(H2,13,14)
InChIKeyCOBDMBSASUAWID-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.35
Rot. Bonds3

About 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide

1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide (PubChem CID 116780011) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide
PubChem CID116780011
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide
SMILESCOC1(/C(N)=N/C(C)C)CCC(C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)14-11(13)12(15-4)7-5-10(3)6-8-12/h9-10H,5-8H2,1-4H3,(H2,13,14)
InChIKeyCOBDMBSASUAWID-UHFFFAOYSA-N
XLogP2.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide?
The IUPAC name of 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide (CID 116780011) is 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide is COC1(/C(N)=N/C(C)C)CCC(C)CC1.
What is the InChIKey of 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide?
The InChIKey is COBDMBSASUAWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)14-11(13)12(15-4)7-5-10(3)6-8-12/h9-10H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide?
1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-N'-propan-2-ylcyclohexane-1-carboximidamide is sourced from PubChem (CID 116780011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).