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

C14H24N2O — CID 79145548

IUPACN-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1C(C)(C)C1(C)C
InChIInChI=1S/C14H24N2O/c1-9(2)15-7-10-11(17-8-16-10)12-13(3,4)14(12,5)6/h8-9,12,15H,7H2,1-6H3
InChIKeyHQWSYZIUJFLIDI-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.32
Rot. Bonds4

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

N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145548) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145548
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1C(C)(C)C1(C)C
InChIInChI=1S/C14H24N2O/c1-9(2)15-7-10-11(17-8-16-10)12-13(3,4)14(12,5)6/h8-9,12,15H,7H2,1-6H3
InChIKeyHQWSYZIUJFLIDI-UHFFFAOYSA-N
XLogP3.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145548) is N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1C1C(C)(C)C1(C)C.
What is the InChIKey of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is HQWSYZIUJFLIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)15-7-10-11(17-8-16-10)12-13(3,4)14(12,5)6/h8-9,12,15H,7H2,1-6H3.
What are the key properties of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).