2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide

C12H26N2O2 — CID 107199146

IUPAC2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)13-10-11(16)14(4)8-6-5-7-9-15/h13,15H,5-10H2,1-4H3
InChIKeyJUDODNMDAGWHJB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.00
Rot. Bonds7

About 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide

2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107199146) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107199146
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)13-10-11(16)14(4)8-6-5-7-9-15/h13,15H,5-10H2,1-4H3
InChIKeyJUDODNMDAGWHJB-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
CID 170154459
2-(tert-butylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380358
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202880
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107199146) is 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide is CN(CCCCCO)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is JUDODNMDAGWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)13-10-11(16)14(4)8-6-5-7-9-15/h13,15H,5-10H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 230.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107199146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).