N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide

C13H24ClNO — CID 114306969

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCCCC1CCl
InChIInChI=1S/C13H24ClNO/c1-13(2,3)12(16)15-9-11-7-5-4-6-10(11)8-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyDXHACNLIESNNGC-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.19
Rot. Bonds3

About N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide

N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide (PubChem CID 114306969) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
PubChem CID114306969
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCCCC1CCl
InChIInChI=1S/C13H24ClNO/c1-13(2,3)12(16)15-9-11-7-5-4-6-10(11)8-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyDXHACNLIESNNGC-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.19
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

N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
CID 114307011
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
4-tert-butyl-N-[[2-(chloromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
CID 114307150
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(thian-4-yl)acetamide
CID 83135748
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114306831
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CID 54577627

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide (CID 114306969) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is DXHACNLIESNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-13(2,3)12(16)15-9-11-7-5-4-6-10(11)8-14/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 245.79 g/mol, XLogP of 3.19, 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]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 114306969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).