2-(butylamino)acetyl chloride;hydrochloride

C6H13Cl2NO — CID 87301147

IUPAC2-(butylamino)acetyl chloride;hydrochloride
SMILESCCCCNCC(=O)Cl.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-2-3-4-8-5-6(7)9;/h8H,2-5H2,1H3;1H
InChIKeyWOJJNVMZHWVYNM-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.56
Rot. Bonds5

About 2-(butylamino)acetyl chloride;hydrochloride

2-(butylamino)acetyl chloride;hydrochloride (PubChem CID 87301147) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is 2-(butylamino)acetyl chloride;hydrochloride.

Molecular Properties

Compound Name2-(butylamino)acetyl chloride;hydrochloride
PubChem CID87301147
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name2-(butylamino)acetyl chloride;hydrochloride
SMILESCCCCNCC(=O)Cl.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-2-3-4-8-5-6(7)9;/h8H,2-5H2,1H3;1H
InChIKeyWOJJNVMZHWVYNM-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)acetyl chloride
CID 174793252
4-(octylamino)butanoyl chloride;hydrochloride
CID 87609657
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-butylcarbamoyl chloride
CID 14251115
acetamide;N-butylbutan-1-amine
CID 172792447
butan-2-one;N-butylbutan-1-amine
CID 161180085
propyl 2-(butylamino)acetate
CID 118604269
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
butylaminomethanol;propane
CID 169245417
1-(butylamino)pent-3-en-2-one;nickel
CID 161234622
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)acetyl chloride;hydrochloride?
The IUPAC name of 2-(butylamino)acetyl chloride;hydrochloride (CID 87301147) is 2-(butylamino)acetyl chloride;hydrochloride.
What is the SMILES notation for 2-(butylamino)acetyl chloride;hydrochloride?
The canonical SMILES for 2-(butylamino)acetyl chloride;hydrochloride is CCCCNCC(=O)Cl.Cl.
What is the InChIKey of 2-(butylamino)acetyl chloride;hydrochloride?
The InChIKey is WOJJNVMZHWVYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.ClH/c1-2-3-4-8-5-6(7)9;/h8H,2-5H2,1H3;1H.
What are the key properties of 2-(butylamino)acetyl chloride;hydrochloride?
2-(butylamino)acetyl chloride;hydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)acetyl chloride;hydrochloride is sourced from PubChem (CID 87301147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).