2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide

C11H22N2O2 — CID 62822757

IUPAC2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(C)C(CN)C(=O)NCC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyXHNNZDKQVLLJER-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.37
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide

2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 62822757) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID62822757
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(C)C(CN)C(=O)NCC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyXHNNZDKQVLLJER-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide (CID 62822757) is 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide is CC(C)C(CN)C(=O)NCC1CCOC1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is XHNNZDKQVLLJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 62822757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).