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

C9H17N3O2 — CID 115747917

IUPAC1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1nonc1C
InChIInChI=1S/C9H17N3O2/c1-7-8(12-14-11-7)5-10-9(2,3)6-13-4/h10H,5-6H2,1-4H3
InChIKeyAJXPZSVRLMWNSA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.89
Rot. Bonds5

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

1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine (PubChem CID 115747917) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine
PubChem CID115747917
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1nonc1C
InChIInChI=1S/C9H17N3O2/c1-7-8(12-14-11-7)5-10-9(2,3)6-13-4/h10H,5-6H2,1-4H3
InChIKeyAJXPZSVRLMWNSA-UHFFFAOYSA-N
XLogP0.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115609373
2-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propanoic acid
CID 65263737
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
1-methoxy-2-methyl-N-(pyrimidin-5-ylmethyl)propan-2-amine
CID 115608009
1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 115698925
1-methoxy-N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 115609446
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264538
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 126981492
N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115697426
3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
CID 65111649
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115684330
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine (CID 115747917) is 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine is COCC(C)(C)NCc1nonc1C.
What is the InChIKey of 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine?
The InChIKey is AJXPZSVRLMWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-8(12-14-11-7)5-10-9(2,3)6-13-4/h10H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine?
1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115747917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).