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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Related Compounds

(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
4-amino-3-methoxy-N-(oxolan-3-ylmethyl)butanamide
CID 103154885
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
4-tert-butyl-N-[3-methyl-1-oxo-1-(oxolan-3-ylmethylamino)butan-2-yl]benzamide
CID 55659359

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).