6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide

C13H28N2O3 — CID 79547447

IUPAC6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
SMILESCCOC(CNC(=O)CCC(C)CCN)OCC
InChIInChI=1S/C13H28N2O3/c1-4-17-13(18-5-2)10-15-12(16)7-6-11(3)8-9-14/h11,13H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyIJYYBPFTQHFPPM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.27
Rot. Bonds11

About 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide

6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide (PubChem CID 79547447) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
PubChem CID79547447
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
SMILESCCOC(CNC(=O)CCC(C)CCN)OCC
InChIInChI=1S/C13H28N2O3/c1-4-17-13(18-5-2)10-15-12(16)7-6-11(3)8-9-14/h11,13H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyIJYYBPFTQHFPPM-UHFFFAOYSA-N
XLogP1.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid
CID 65493717

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide?
The IUPAC name of 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide (CID 79547447) is 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide is CCOC(CNC(=O)CCC(C)CCN)OCC.
What is the InChIKey of 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide?
The InChIKey is IJYYBPFTQHFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-17-13(18-5-2)10-15-12(16)7-6-11(3)8-9-14/h11,13H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide?
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide has a molecular weight of 260.38 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide is sourced from PubChem (CID 79547447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).