N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine

C17H30N2O — CID 107185194

IUPACN-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(C2CCCC2(C)C)o1
InChIInChI=1S/C17H30N2O/c1-13(2)11-18-10-6-8-16-19-12-15(20-16)14-7-5-9-17(14,3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyCTHQZMYIBOQJOA-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.15
Rot. Bonds7

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

N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (PubChem CID 107185194) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
PubChem CID107185194
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(C2CCCC2(C)C)o1
InChIInChI=1S/C17H30N2O/c1-13(2)11-18-10-6-8-16-19-12-15(20-16)14-7-5-9-17(14,3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyCTHQZMYIBOQJOA-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (CID 107185194) is N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ncc(C2CCCC2(C)C)o1.
What is the InChIKey of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is CTHQZMYIBOQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)11-18-10-6-8-16-19-12-15(20-16)14-7-5-9-17(14,3)4/h12-14,18H,5-11H2,1-4H3.
What are the key properties of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107185194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).