3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide

C11H22N2O2 — CID 64677965

IUPAC3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCC(C)(N)CC(=O)NCCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-11(2,12)8-10(14)13-6-5-9-4-3-7-15-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyLOBXUCUEPBPPES-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.80
Rot. Bonds5

About 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide

3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide (PubChem CID 64677965) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
PubChem CID64677965
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCC(C)(N)CC(=O)NCCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-11(2,12)8-10(14)13-6-5-9-4-3-7-15-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyLOBXUCUEPBPPES-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide (CID 64677965) is 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide is CC(C)(N)CC(=O)NCCC1CCCO1.
What is the InChIKey of 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
The InChIKey is LOBXUCUEPBPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,12)8-10(14)13-6-5-9-4-3-7-15-9/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide is sourced from PubChem (CID 64677965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).