N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C14H24N2O — CID 79144806

IUPACN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(Cc1ocnc1CNC1CC1)C(C)(C)C
InChIInChI=1S/C14H24N2O/c1-10(14(2,3)4)7-13-12(16-9-17-13)8-15-11-5-6-11/h9-11,15H,5-8H2,1-4H3
InChIKeyHZAGCGXUHZDFTR-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds5

About N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79144806) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79144806
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(Cc1ocnc1CNC1CC1)C(C)(C)C
InChIInChI=1S/C14H24N2O/c1-10(14(2,3)4)7-13-12(16-9-17-13)8-15-11-5-6-11/h9-11,15H,5-8H2,1-4H3
InChIKeyHZAGCGXUHZDFTR-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79144806) is N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is CC(Cc1ocnc1CNC1CC1)C(C)(C)C.
What is the InChIKey of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is HZAGCGXUHZDFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(14(2,3)4)7-13-12(16-9-17-13)8-15-11-5-6-11/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79144806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).