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

C12H20N2O2 — CID 102633268

IUPACN-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine
SMILESCNC1CCCCC1OCc1cc(C)no1
InChIInChI=1S/C12H20N2O2/c1-9-7-10(16-14-9)8-15-12-6-4-3-5-11(12)13-2/h7,11-13H,3-6,8H2,1-2H3
InChIKeyHRLWFCBJSVUWBL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.03
Rot. Bonds4

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

N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine (PubChem CID 102633268) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine
PubChem CID102633268
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine
SMILESCNC1CCCCC1OCc1cc(C)no1
InChIInChI=1S/C12H20N2O2/c1-9-7-10(16-14-9)8-15-12-6-4-3-5-11(12)13-2/h7,11-13H,3-6,8H2,1-2H3
InChIKeyHRLWFCBJSVUWBL-UHFFFAOYSA-N
XLogP2.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine (CID 102633268) is N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine is CNC1CCCCC1OCc1cc(C)no1.
What is the InChIKey of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine?
The InChIKey is HRLWFCBJSVUWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-7-10(16-14-9)8-15-12-6-4-3-5-11(12)13-2/h7,11-13H,3-6,8H2,1-2H3.
What are the key properties of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine?
N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 102633268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).