4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide

C13H28N2O2 — CID 139306329

IUPAC4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide
SMILESCNCC(C)(C)COCC(C)(C)CC(=O)NC
InChIInChI=1S/C13H28N2O2/c1-12(2,7-11(16)15-6)9-17-10-13(3,4)8-14-5/h14H,7-10H2,1-6H3,(H,15,16)
InChIKeyJMKXQLHMIWQWCX-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.41
Rot. Bonds8

About 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide

4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide (PubChem CID 139306329) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide
PubChem CID139306329
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide
SMILESCNCC(C)(C)COCC(C)(C)CC(=O)NC
InChIInChI=1S/C13H28N2O2/c1-12(2,7-11(16)15-6)9-17-10-13(3,4)8-14-5/h14H,7-10H2,1-6H3,(H,15,16)
InChIKeyJMKXQLHMIWQWCX-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide 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,N',3,3,6,6-hexamethyloctanediamide
CID 54555561
N,3,3,5,5-pentamethylhexanamide
CID 134573804
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
CID 170012588
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
(2S)-2-amino-N-[3-[2,2-dimethyl-4-oxo-4-(propylamino)butoxy]-2,2-dimethylpropyl]-N'-methylpentanediamide
CID 170014382
2,6-bis[[4-[2,2-dimethyl-3-(methylamino)propoxy]-3,3-dimethylbutanoyl]amino]-N-[5-[2-[(3,3-dimethyl-4-phosphanyloxybutanoyl)amino]butanoylamino]-6-[[2-(methylamino)-2-oxoethyl]amino]-6-oxohexyl]hexanamide
CID 177028162
N-[3-[3-[(3,3-dimethyl-4-phosphanyloxybutanoyl)amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-2,2,5,5-tetramethylhexanamide
CID 170210594
N,2,2-trimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620527
[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
CID 87800616
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 178168451
2,6-bis[[4-[2,2-dimethyl-3-(methylamino)propoxy]-3,3-dimethylbutanoyl]amino]-N-[5-[2-[(3,3-dimethyl-4-phosphanyloxybutanoyl)amino]butanoylamino]-6-[[2-(methylamino)-2-oxoethyl]amino]-6-oxohexyl]hexanamide;ethane;methanamine;N-methylpropan-1-amine
CID 177028161
3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
CID 71757519

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide?
The IUPAC name of 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide (CID 139306329) is 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide is CNCC(C)(C)COCC(C)(C)CC(=O)NC.
What is the InChIKey of 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide?
The InChIKey is JMKXQLHMIWQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2,7-11(16)15-6)9-17-10-13(3,4)8-14-5/h14H,7-10H2,1-6H3,(H,15,16).
What are the key properties of 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide?
4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 139306329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).