N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide

C13H27N3O2 — CID 119885266

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(9-14-2)12(17)15-10-13(16(3)4)5-7-18-8-6-13/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyAZWSYZUMFODWJX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.07
Rot. Bonds6

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119885266) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119885266
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(9-14-2)12(17)15-10-13(16(3)4)5-7-18-8-6-13/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyAZWSYZUMFODWJX-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 111520491
N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
CID 115876394
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 167889797
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119738802
1-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111781518
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 95768876
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2S)-1-(4-fluorophenyl)propan-2-yl]urea
CID 95768873
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119885266) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC1(N(C)C)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is AZWSYZUMFODWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(9-14-2)12(17)15-10-13(16(3)4)5-7-18-8-6-13/h11,14H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119885266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).