2-(2,2-dimethylpropylamino)acetyl chloride

C7H14ClNO — CID 175069238

IUPAC2-(2,2-dimethylpropylamino)acetyl chloride
SMILESCC(C)(C)CNCC(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-7(2,3)5-9-4-6(8)10/h9H,4-5H2,1-3H3
InChIKeyGSKWIABILJYWQN-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.39
Rot. Bonds3

About 2-(2,2-dimethylpropylamino)acetyl chloride

2-(2,2-dimethylpropylamino)acetyl chloride (PubChem CID 175069238) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)acetyl chloride.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)acetyl chloride
PubChem CID175069238
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-(2,2-dimethylpropylamino)acetyl chloride
SMILESCC(C)(C)CNCC(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-7(2,3)5-9-4-6(8)10/h9H,4-5H2,1-3H3
InChIKeyGSKWIABILJYWQN-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)acetyl chloride?
The IUPAC name of 2-(2,2-dimethylpropylamino)acetyl chloride (CID 175069238) is 2-(2,2-dimethylpropylamino)acetyl chloride.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)acetyl chloride?
The canonical SMILES for 2-(2,2-dimethylpropylamino)acetyl chloride is CC(C)(C)CNCC(=O)Cl.
What is the InChIKey of 2-(2,2-dimethylpropylamino)acetyl chloride?
The InChIKey is GSKWIABILJYWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(2,3)5-9-4-6(8)10/h9H,4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylamino)acetyl chloride?
2-(2,2-dimethylpropylamino)acetyl chloride has a molecular weight of 163.65 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)acetyl chloride is sourced from PubChem (CID 175069238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).