N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide

C12H26N2O3 — CID 155707433

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)CCOCCOCCN
InChIInChI=1S/C12H26N2O3/c1-4-11(2)12(15)14(3)6-8-17-10-9-16-7-5-13/h11H,4-10,13H2,1-3H3
InChIKeyCBJBENGYIJZQEE-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.48
Rot. Bonds10

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide (PubChem CID 155707433) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
PubChem CID155707433
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)CCOCCOCCN
InChIInChI=1S/C12H26N2O3/c1-4-11(2)12(15)14(3)6-8-17-10-9-16-7-5-13/h11H,4-10,13H2,1-3H3
InChIKeyCBJBENGYIJZQEE-UHFFFAOYSA-N
XLogP0.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-methylpropanamide
CID 168897621
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
2-methyl-N,N-bis(2-propoxyethyl)butanamide
CID 59687724
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
N,2-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide
CID 43136751
3-amino-N-(2-ethoxyethyl)-2-methoxy-N-methylpropanamide
CID 106113210

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide (CID 155707433) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)CCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide?
The InChIKey is CBJBENGYIJZQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-11(2)12(15)14(3)6-8-17-10-9-16-7-5-13/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 0.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 155707433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).