2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine

C11H21N3O — CID 107911870

IUPAC2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
SMILESCc1nc(CNCC(C)C(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-8(11(3,4)5)6-12-7-10-13-9(2)15-14-10/h8,12H,6-7H2,1-5H3
InChIKeyHDIOVGPKKROGNY-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.15
Rot. Bonds4

About 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine

2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine (PubChem CID 107911870) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
PubChem CID107911870
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
SMILESCc1nc(CNCC(C)C(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-8(11(3,4)5)6-12-7-10-13-9(2)15-14-10/h8,12H,6-7H2,1-5H3
InChIKeyHDIOVGPKKROGNY-UHFFFAOYSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665
3,3,3-trifluoro-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]propanoic acid
CID 106401625
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
1-(dimethylamino)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106147598
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 107911748
1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104
1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103827365

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine (CID 107911870) is 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine is Cc1nc(CNCC(C)C(C)(C)C)no1.
What is the InChIKey of 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
The InChIKey is HDIOVGPKKROGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(11(3,4)5)6-12-7-10-13-9(2)15-14-10/h8,12H,6-7H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 107911870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).