2-(chloromethyl)-N,N,3,3-tetramethylbutanamide

C9H18ClNO — CID 176757488

IUPAC2-(chloromethyl)-N,N,3,3-tetramethylbutanamide
SMILESCN(C)C(=O)C(CCl)C(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-9(2,3)7(6-10)8(12)11(4)5/h7H,6H2,1-5H3
InChIKeyLCDLKJDHWWRORK-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.98
Rot. Bonds2

About 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide

2-(chloromethyl)-N,N,3,3-tetramethylbutanamide (PubChem CID 176757488) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide.

Molecular Properties

Compound Name2-(chloromethyl)-N,N,3,3-tetramethylbutanamide
PubChem CID176757488
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(chloromethyl)-N,N,3,3-tetramethylbutanamide
SMILESCN(C)C(=O)C(CCl)C(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-9(2,3)7(6-10)8(12)11(4)5/h7H,6H2,1-5H3
InChIKeyLCDLKJDHWWRORK-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide?
The IUPAC name of 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide (CID 176757488) is 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide.
What is the SMILES notation for 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide?
The canonical SMILES for 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide is CN(C)C(=O)C(CCl)C(C)(C)C.
What is the InChIKey of 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide?
The InChIKey is LCDLKJDHWWRORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-9(2,3)7(6-10)8(12)11(4)5/h7H,6H2,1-5H3.
What are the key properties of 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide?
2-(chloromethyl)-N,N,3,3-tetramethylbutanamide has a molecular weight of 191.70 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,N,3,3-tetramethylbutanamide is sourced from PubChem (CID 176757488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).