2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium

C11H25N2O+ — CID 20759283

IUPAC2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium
SMILESCC(C)(C)CC(=O)NCC[N+](C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)9-10(14)12-7-8-13(4,5)6/h7-9H2,1-6H3/p+1
InChIKeyCNSFCDYXWYVLQR-UHFFFAOYSA-O
MW201.33 g/mol
LogP1.25
Rot. Bonds4

About 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium

2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium (PubChem CID 20759283) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium
PubChem CID20759283
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Name2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium
SMILESCC(C)(C)CC(=O)NCC[N+](C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)9-10(14)12-7-8-13(4,5)6/h7-9H2,1-6H3/p+1
InChIKeyCNSFCDYXWYVLQR-UHFFFAOYSA-O
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.25
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

(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
CID 10130367
(2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutanamide
CID 23645883
(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
Propanamide, N-(2-(dimethylamino)ethyl)-2-methyl-
CID 3047314
Propanamide, N-(2-(diethylamino)ethyl)-
CID 3047315
Propanamide, N-(2-(diethylamino)ethyl)-2-methyl-
CID 3047316

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium?
The IUPAC name of 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium (CID 20759283) is 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium.
What is the SMILES notation for 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium?
The canonical SMILES for 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium is CC(C)(C)CC(=O)NCC[N+](C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium?
The InChIKey is CNSFCDYXWYVLQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)9-10(14)12-7-8-13(4,5)6/h7-9H2,1-6H3/p+1.
What are the key properties of 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium?
2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium has a molecular weight of 201.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoylamino)ethyl-trimethylazanium is sourced from PubChem (CID 20759283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).