1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine

C13H20N2O — CID 115723277

IUPAC1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCc1cc(CNC(C2CC2)C2CC2)on1
InChIInChI=1S/C13H20N2O/c1-2-11-7-12(16-15-11)8-14-13(9-3-4-9)10-5-6-10/h7,9-10,13-14H,2-6,8H2,1H3
InChIKeyXOXHSWZDMZEWJZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.52
Rot. Bonds6

About 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 115723277) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID115723277
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCc1cc(CNC(C2CC2)C2CC2)on1
InChIInChI=1S/C13H20N2O/c1-2-11-7-12(16-15-11)8-14-13(9-3-4-9)10-5-6-10/h7,9-10,13-14H,2-6,8H2,1H3
InChIKeyXOXHSWZDMZEWJZ-UHFFFAOYSA-N
XLogP2.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 115677284
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]heptan-2-amine
CID 115723271
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 115654524
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 115723278
(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 97232655
[[3-(chloromethyl)-1,2-oxazol-5-yl]methylamino]-cyclohexylmethanol
CID 148706747
1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine
CID 115717515
1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 154770585
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(furan-3-yl)methanamine
CID 115646607
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
CID 115646593
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine (CID 115723277) is 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine is CCc1cc(CNC(C2CC2)C2CC2)on1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is XOXHSWZDMZEWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-11-7-12(16-15-11)8-14-13(9-3-4-9)10-5-6-10/h7,9-10,13-14H,2-6,8H2,1H3.
What are the key properties of 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115723277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).