2-[butyl(methyl)amino]acetyl chloride

C7H14ClNO — CID 39248237

IUPAC2-[butyl(methyl)amino]acetyl chloride
SMILESCCCCN(C)CC(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-4-5-9(2)6-7(8)10/h3-6H2,1-2H3
InChIKeyMBXVKEGBFQBBGR-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.48
Rot. Bonds5

About 2-[butyl(methyl)amino]acetyl chloride

2-[butyl(methyl)amino]acetyl chloride (PubChem CID 39248237) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[butyl(methyl)amino]acetyl chloride
PubChem CID39248237
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-[butyl(methyl)amino]acetyl chloride
SMILESCCCCN(C)CC(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-4-5-9(2)6-7(8)10/h3-6H2,1-2H3
InChIKeyMBXVKEGBFQBBGR-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(methyl)amino]propan-2-one
CID 43219631
2-[butyl(methyl)amino]acetamide
CID 22371777
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[methyl(tridecyl)amino]acetamide
CID 175737609
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
3-(dibutylamino)propanoyl chloride
CID 39258356
N,N-diethyl-2-[hexyl(methyl)amino]acetamide
CID 86911436
methyl 2-[methyl(octyl)amino]acetate
CID 62028594
alumanyl 2-[methyl(pentyl)amino]acetate
CID 173223235
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]acetyl chloride?
The IUPAC name of 2-[butyl(methyl)amino]acetyl chloride (CID 39248237) is 2-[butyl(methyl)amino]acetyl chloride.
What is the SMILES notation for 2-[butyl(methyl)amino]acetyl chloride?
The canonical SMILES for 2-[butyl(methyl)amino]acetyl chloride is CCCCN(C)CC(=O)Cl.
What is the InChIKey of 2-[butyl(methyl)amino]acetyl chloride?
The InChIKey is MBXVKEGBFQBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-4-5-9(2)6-7(8)10/h3-6H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]acetyl chloride?
2-[butyl(methyl)amino]acetyl chloride has a molecular weight of 163.65 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]acetyl chloride is sourced from PubChem (CID 39248237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).