N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide

C13H28N2O — CID 119775757

IUPACN-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(10-14-5)12(16)15-9-7-6-8-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyPTQXZJISRMHFPA-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds7

About N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide

N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 119775757) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
PubChem CID119775757
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(10-14-5)12(16)15-9-7-6-8-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyPTQXZJISRMHFPA-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
CID 120500484
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
CID 119686226
N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(2-hydroxy-2-methylpentyl)-2-methyl-3-(methylamino)propanamide
CID 106292285
N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867796
2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide
CID 79202458
N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)
CID 59189533
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
CID 119820265

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide (CID 119775757) is N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCCCC(C)(C)C.
What is the InChIKey of N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is PTQXZJISRMHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(10-14-5)12(16)15-9-7-6-8-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide?
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119775757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).