2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide

C11H25N3O3 — CID 21016265

IUPAC2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
SMILESCCCC(N)C(O)C(O)NCC(=O)NC(C)C
InChIInChI=1S/C11H25N3O3/c1-4-5-8(12)10(16)11(17)13-6-9(15)14-7(2)3/h7-8,10-11,13,16-17H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyPRKCFRDAGKBPMV-UHFFFAOYSA-N
MW247.34 g/mol
LogP-1.09
Rot. Bonds8

About 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide

2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide (PubChem CID 21016265) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
PubChem CID21016265
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
SMILESCCCC(N)C(O)C(O)NCC(=O)NC(C)C
InChIInChI=1S/C11H25N3O3/c1-4-5-8(12)10(16)11(17)13-6-9(15)14-7(2)3/h7-8,10-11,13,16-17H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyPRKCFRDAGKBPMV-UHFFFAOYSA-N
XLogP-1.09
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide (CID 21016265) is 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide is CCCC(N)C(O)C(O)NCC(=O)NC(C)C.
What is the InChIKey of 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide?
The InChIKey is PRKCFRDAGKBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-4-5-8(12)10(16)11(17)13-6-9(15)14-7(2)3/h7-8,10-11,13,16-17H,4-6,12H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide?
2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of -1.09, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 21016265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).