N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide

C8H18ClN3O2 — CID 91502571

IUPACN-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide
SMILESCC(C)(NC(=O)CCl)C(O)NCCN
InChIInChI=1S/C8H18ClN3O2/c1-8(2,12-6(13)5-9)7(14)11-4-3-10/h7,11,14H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyTZPWGOCHPRUXKB-UHFFFAOYSA-N
MW223.70 g/mol
LogP-1.01
Rot. Bonds6

About N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide

N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide (PubChem CID 91502571) has the molecular formula C8H18ClN3O2 and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide
PubChem CID91502571
Molecular FormulaC8H18ClN3O2
Molecular Weight223.70 g/mol
Exact Mass223.11
IUPAC NameN-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide
SMILESCC(C)(NC(=O)CCl)C(O)NCCN
InChIInChI=1S/C8H18ClN3O2/c1-8(2,12-6(13)5-9)7(14)11-4-3-10/h7,11,14H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyTZPWGOCHPRUXKB-UHFFFAOYSA-N
XLogP-1.01
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide (CID 91502571) is N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide is CC(C)(NC(=O)CCl)C(O)NCCN.
What is the InChIKey of N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide?
The InChIKey is TZPWGOCHPRUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN3O2/c1-8(2,12-6(13)5-9)7(14)11-4-3-10/h7,11,14H,3-5,10H2,1-2H3,(H,12,13).
What are the key properties of N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide?
N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide has a molecular weight of 223.70 g/mol, XLogP of -1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 91502571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).