N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide

C10H18INO — CID 121366962

IUPACN-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(I)CC1
InChIInChI=1S/C10H18INO/c1-3-12(2)10(13)8-4-6-9(11)7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyZQKXBOVOHJGQQG-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.46
Rot. Bonds2

About N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide

N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide (PubChem CID 121366962) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide
PubChem CID121366962
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC NameN-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(I)CC1
InChIInChI=1S/C10H18INO/c1-3-12(2)10(13)8-4-6-9(11)7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyZQKXBOVOHJGQQG-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide (CID 121366962) is N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide is CCN(C)C(=O)C1CCC(I)CC1.
What is the InChIKey of N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZQKXBOVOHJGQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO/c1-3-12(2)10(13)8-4-6-9(11)7-5-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide?
N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide has a molecular weight of 295.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 121366962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).