2-(2-adamantyl)-2-aminoacetyl chloride

C12H18ClNO — CID 13209015

IUPAC2-(2-adamantyl)-2-aminoacetyl chloride
SMILESNC(C(=O)Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18ClNO/c13-12(15)11(14)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5,14H2
InChIKeyMKPMUTXMHUMKEB-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-adamantyl)-2-aminoacetyl chloride

2-(2-adamantyl)-2-aminoacetyl chloride (PubChem CID 13209015) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-adamantyl)-2-aminoacetyl chloride.

Molecular Properties

Compound Name2-(2-adamantyl)-2-aminoacetyl chloride
PubChem CID13209015
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-adamantyl)-2-aminoacetyl chloride
SMILESNC(C(=O)Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18ClNO/c13-12(15)11(14)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5,14H2
InChIKeyMKPMUTXMHUMKEB-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-adamantyl)ethanamine
CID 151459315
2-(2-adamantyl)-2-amino-1-[(1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 59891419
2-adamantyl 2,2-dichloroacetate
CID 584187
2-amino-2-cyclopropylacetyl chloride
CID 55289938
adamantane;urea
CID 68761520
2-(2-adamantyl)-2-cyanoacetic acid
CID 13341617
2-adamantyl carbonochloridate
CID 10878537
1,2-bis(2-adamantyl)ethane-1,2-dione
CID 101080839
ethyl 2-(2-adamantyl)-3-ethoxypropanoate
CID 19994438
2-(1-iodoethyl)adamantane
CID 23001063
2-adamantyloxy carbonochloridate
CID 22417249
2-(2-adamantyl)-2-phenoxyacetamide
CID 67285468

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-2-aminoacetyl chloride?
The IUPAC name of 2-(2-adamantyl)-2-aminoacetyl chloride (CID 13209015) is 2-(2-adamantyl)-2-aminoacetyl chloride.
What is the SMILES notation for 2-(2-adamantyl)-2-aminoacetyl chloride?
The canonical SMILES for 2-(2-adamantyl)-2-aminoacetyl chloride is NC(C(=O)Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyl)-2-aminoacetyl chloride?
The InChIKey is MKPMUTXMHUMKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c13-12(15)11(14)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5,14H2.
What are the key properties of 2-(2-adamantyl)-2-aminoacetyl chloride?
2-(2-adamantyl)-2-aminoacetyl chloride has a molecular weight of 227.73 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-2-aminoacetyl chloride is sourced from PubChem (CID 13209015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).