3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide

C16H34N2O2 — CID 134502890

IUPAC3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
SMILESCNC(C)(C)CCOC(C)(C)CC(=O)NCCC(C)C
InChIInChI=1S/C16H34N2O2/c1-13(2)8-10-18-14(19)12-16(5,6)20-11-9-15(3,4)17-7/h13,17H,8-12H2,1-7H3,(H,18,19)
InChIKeyCMRJCUIHQLAHCP-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.72
Rot. Bonds10

About 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide

3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide (PubChem CID 134502890) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
PubChem CID134502890
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
SMILESCNC(C)(C)CCOC(C)(C)CC(=O)NCCC(C)C
InChIInChI=1S/C16H34N2O2/c1-13(2)8-10-18-14(19)12-16(5,6)20-11-9-15(3,4)17-7/h13,17H,8-12H2,1-7H3,(H,18,19)
InChIKeyCMRJCUIHQLAHCP-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(methylamino)butan-1-ol;2,2,4,4-tetramethyl-5-[4-[2-methyl-4-(3-methylbutylamino)-4-oxobutan-2-yl]oxybutan-2-ylamino]sulfanyl-5-oxopentanoic acid
CID 145279244
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid
CID 167219858
N-[2-(2-hydroxyethyldisulfanyl)ethyl]-3-methyl-3-(3-methylbutoxy)butanamide;methanol
CID 178164257
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
CID 134502976
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
CID 156817336
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
2-(methylamino)-5-[2-[2-methyl-4-(2-methyl-4-oxopentan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentanoic acid
CID 176958655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide (CID 134502890) is 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide is CNC(C)(C)CCOC(C)(C)CC(=O)NCCC(C)C.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide?
The InChIKey is CMRJCUIHQLAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-13(2)8-10-18-14(19)12-16(5,6)20-11-9-15(3,4)17-7/h13,17H,8-12H2,1-7H3,(H,18,19).
What are the key properties of 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide?
3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide has a molecular weight of 286.46 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide is sourced from PubChem (CID 134502890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).