5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine

C12H22N2O — CID 60689913

IUPAC5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
SMILESCc1cc(CNC(C)CCC(C)C)no1
InChIInChI=1S/C12H22N2O/c1-9(2)5-6-10(3)13-8-12-7-11(4)15-14-12/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyVMTGVOYXGYNWHV-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.90
Rot. Bonds6

About 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine

5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine (PubChem CID 60689913) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
PubChem CID60689913
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
SMILESCc1cc(CNC(C)CCC(C)C)no1
InChIInChI=1S/C12H22N2O/c1-9(2)5-6-10(3)13-8-12-7-11(4)15-14-12/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyVMTGVOYXGYNWHV-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 115712416
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
5-methyl-3-(4-methylpentyl)-1,2-oxazole
CID 58970609
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541452
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 146106306
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 61335876

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine (CID 60689913) is 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine is Cc1cc(CNC(C)CCC(C)C)no1.
What is the InChIKey of 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine?
The InChIKey is VMTGVOYXGYNWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)5-6-10(3)13-8-12-7-11(4)15-14-12/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine?
5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 60689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).