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

C13H22N2O — CID 107003479

IUPACN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2CC2(C)C)o1
InChIInChI=1S/C13H22N2O/c1-9(2)6-14-8-12-15-7-11(16-12)10-5-13(10,3)4/h7,9-10,14H,5-6,8H2,1-4H3
InChIKeyTTZQYBWCDLTEKT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.93
Rot. Bonds5

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

N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107003479) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107003479
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2CC2(C)C)o1
InChIInChI=1S/C13H22N2O/c1-9(2)6-14-8-12-15-7-11(16-12)10-5-13(10,3)4/h7,9-10,14H,5-6,8H2,1-4H3
InChIKeyTTZQYBWCDLTEKT-UHFFFAOYSA-N
XLogP2.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 107003479) is N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(C2CC2(C)C)o1.
What is the InChIKey of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is TTZQYBWCDLTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)6-14-8-12-15-7-11(16-12)10-5-13(10,3)4/h7,9-10,14H,5-6,8H2,1-4H3.
What are the key properties of N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107003479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).