6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide

C13H28N2O2 — CID 65106452

IUPAC6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
SMILESCCC(CCN)CCC(=O)NCC(C)(O)CC
InChIInChI=1S/C13H28N2O2/c1-4-11(8-9-14)6-7-12(16)15-10-13(3,17)5-2/h11,17H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyMBNCJUGROMIWMW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.42
Rot. Bonds9

About 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide

6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide (PubChem CID 65106452) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
PubChem CID65106452
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
SMILESCCC(CCN)CCC(=O)NCC(C)(O)CC
InChIInChI=1S/C13H28N2O2/c1-4-11(8-9-14)6-7-12(16)15-10-13(3,17)5-2/h11,17H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyMBNCJUGROMIWMW-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
6-amino-4-ethyl-N-(2-methoxypropyl)hexanamide
CID 102694994
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
6-amino-N-ethoxy-4-ethylhexanamide
CID 64974724
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
CID 113313291
3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65106616
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
CID 65114452

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide (CID 65106452) is 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide is CCC(CCN)CCC(=O)NCC(C)(O)CC.
What is the InChIKey of 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide?
The InChIKey is MBNCJUGROMIWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-11(8-9-14)6-7-12(16)15-10-13(3,17)5-2/h11,17H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide?
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide is sourced from PubChem (CID 65106452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).