N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide

C11H20ClNO — CID 106366671

IUPACN-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCCC1CCl
InChIInChI=1S/C11H20ClNO/c1-8(2)11(14)13-10-6-4-3-5-9(10)7-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyJROVDPAWSFOEGK-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide

N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide (PubChem CID 106366671) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
PubChem CID106366671
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCCC1CCl
InChIInChI=1S/C11H20ClNO/c1-8(2)11(14)13-10-6-4-3-5-9(10)7-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyJROVDPAWSFOEGK-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
CID 95568853
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
CID 106366933
N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
CID 106366938
N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
CID 106366717
N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
CID 106366056
N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide
CID 106366097
N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
CID 106366838
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782
N-[2-(chloromethyl)cyclopentyl]-2-methylcyclopropane-1-carboxamide
CID 106366126

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide (CID 106366671) is N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide is CC(C)C(=O)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide?
The InChIKey is JROVDPAWSFOEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-8(2)11(14)13-10-6-4-3-5-9(10)7-12/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide?
N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide has a molecular weight of 217.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 106366671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).