trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium

C11H25N2O+ — CID 58085093

IUPACtrimethyl-[3-methyl-3-(propanoylamino)butyl]azanium
SMILESCCC(=O)NC(C)(C)CC[N+](C)(C)C
InChIInChI=1S/C11H24N2O/c1-7-10(14)12-11(2,3)8-9-13(4,5)6/h7-9H2,1-6H3/p+1
InChIKeyOUTZYAUNINQESE-UHFFFAOYSA-O
MW201.33 g/mol
LogP1.39
Rot. Bonds5

About trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium

trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium (PubChem CID 58085093) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-methyl-3-(propanoylamino)butyl]azanium
PubChem CID58085093
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Nametrimethyl-[3-methyl-3-(propanoylamino)butyl]azanium
SMILESCCC(=O)NC(C)(C)CC[N+](C)(C)C
InChIInChI=1S/C11H24N2O/c1-7-10(14)12-11(2,3)8-9-13(4,5)6/h7-9H2,1-6H3/p+1
InChIKeyOUTZYAUNINQESE-UHFFFAOYSA-O
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Propionamide, 3-(dimethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024638
1-Piperidinepropionamide, N-tert-pentyl-, hydrochloride
CID 24842768
3-Amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-one
CID 53393252
2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide
CID 60272
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide
CID 24842769
N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide
CID 165448650
N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 3265039
N-[3-(dimethylamino)propyl]-2-methylbutanamide
CID 3519491
N-[3-(diethylamino)propyl]-2-methylbutanamide
CID 4476079
N-[3-(diethylamino)propyl]-3-methylbutanamide
CID 4635765
3-amino-N-(2-methylbutan-2-yl)propanamide
CID 16790740

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium?
The IUPAC name of trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium (CID 58085093) is trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium.
What is the SMILES notation for trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium?
The canonical SMILES for trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium is CCC(=O)NC(C)(C)CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium?
The InChIKey is OUTZYAUNINQESE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H24N2O/c1-7-10(14)12-11(2,3)8-9-13(4,5)6/h7-9H2,1-6H3/p+1.
What are the key properties of trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium?
trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium has a molecular weight of 201.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-3-(propanoylamino)butyl]azanium is sourced from PubChem (CID 58085093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).