(4S)-4-amino-5,5-dimethylhexanamide

C8H18N2O — CID 171725194

IUPAC(4S)-4-amino-5,5-dimethylhexanamide
SMILESCC(C)(C)[C@@H](N)CCC(N)=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)6(9)4-5-7(10)11/h6H,4-5,9H2,1-3H3,(H2,10,11)/t6-/m0/s1
InChIKeyOQKHIIGFGLXJGM-LURJTMIESA-N
MW158.24 g/mol
LogP0.63
Rot. Bonds3

About (4S)-4-amino-5,5-dimethylhexanamide

(4S)-4-amino-5,5-dimethylhexanamide (PubChem CID 171725194) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S)-4-amino-5,5-dimethylhexanamide.

Molecular Properties

Compound Name(4S)-4-amino-5,5-dimethylhexanamide
PubChem CID171725194
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(4S)-4-amino-5,5-dimethylhexanamide
SMILESCC(C)(C)[C@@H](N)CCC(N)=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)6(9)4-5-7(10)11/h6H,4-5,9H2,1-3H3,(H2,10,11)/t6-/m0/s1
InChIKeyOQKHIIGFGLXJGM-LURJTMIESA-N
XLogP0.63
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5-methylhexanamide
CID 90463437
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2,3-ditert-butylhexanediamide
CID 174885270
(5-amino-6,6-dimethylheptyl) carbamate
CID 90354385
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5,5-dimethylhexanamide?
The IUPAC name of (4S)-4-amino-5,5-dimethylhexanamide (CID 171725194) is (4S)-4-amino-5,5-dimethylhexanamide.
What is the SMILES notation for (4S)-4-amino-5,5-dimethylhexanamide?
The canonical SMILES for (4S)-4-amino-5,5-dimethylhexanamide is CC(C)(C)[C@@H](N)CCC(N)=O.
What is the InChIKey of (4S)-4-amino-5,5-dimethylhexanamide?
The InChIKey is OQKHIIGFGLXJGM-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)6(9)4-5-7(10)11/h6H,4-5,9H2,1-3H3,(H2,10,11)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5,5-dimethylhexanamide?
(4S)-4-amino-5,5-dimethylhexanamide has a molecular weight of 158.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5,5-dimethylhexanamide is sourced from PubChem (CID 171725194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).