3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide

C11H22N2O2 — CID 115928006

IUPAC3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NC1(CO)CCC1
InChIInChI=1S/C11H22N2O2/c1-9(7-10(15)13(2)3)12-11(8-14)5-4-6-11/h9,12,14H,4-8H2,1-3H3
InChIKeyXGPBBUMCSZIFRY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide

3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide (PubChem CID 115928006) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide
PubChem CID115928006
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NC1(CO)CCC1
InChIInChI=1S/C11H22N2O2/c1-9(7-10(15)13(2)3)12-11(8-14)5-4-6-11/h9,12,14H,4-8H2,1-3H3
InChIKeyXGPBBUMCSZIFRY-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]butanoic acid
CID 62553184
tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]amino]butanoate
CID 115977937
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
CID 115976095
methyl 3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 103952283
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
CID 62518465
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036
3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
CID 115920632
N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
CID 115728225
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 62522232
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 64669958
(2S)-4-(dimethylamino)-4-oxo-2-(1-propan-2-ylcyclohexyl)butanoic acid
CID 121317357

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide (CID 115928006) is 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NC1(CO)CCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide?
The InChIKey is XGPBBUMCSZIFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(7-10(15)13(2)3)12-11(8-14)5-4-6-11/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide?
3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 115928006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).