3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide

C11H22N2O2 — CID 103707651

IUPAC3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
SMILESCC(C)C(NC(C)C1CCOC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-7(2)10(11(12)14)13-8(3)9-4-5-15-6-9/h7-10,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyCRDKWXVYCRZTAM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.51
Rot. Bonds5

About 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide

3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide (PubChem CID 103707651) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
PubChem CID103707651
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
SMILESCC(C)C(NC(C)C1CCOC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-7(2)10(11(12)14)13-8(3)9-4-5-15-6-9/h7-10,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyCRDKWXVYCRZTAM-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
2-(1-cyclohexylethylamino)-3-methylbutanamide
CID 103729646
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
2-[1-(oxan-4-yl)ethylamino]butanamide
CID 103768077
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide?
The IUPAC name of 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide (CID 103707651) is 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide?
The canonical SMILES for 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide is CC(C)C(NC(C)C1CCOC1)C(N)=O.
What is the InChIKey of 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide?
The InChIKey is CRDKWXVYCRZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)10(11(12)14)13-8(3)9-4-5-15-6-9/h7-10,13H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide?
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide is sourced from PubChem (CID 103707651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).