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

C14H24N2O2 — CID 79762845

IUPAC2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncc(C2CCOC2C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)8-15-6-4-14-16-9-13(18-14)12-5-7-17-11(12)3/h9-12,15H,4-8H2,1-3H3
InChIKeyQQKKAFGSGLCPIT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds6

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

2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 79762845) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID79762845
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncc(C2CCOC2C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)8-15-6-4-14-16-9-13(18-14)12-5-7-17-11(12)3/h9-12,15H,4-8H2,1-3H3
InChIKeyQQKKAFGSGLCPIT-UHFFFAOYSA-N
XLogP2.36
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 79762845) is 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CC(C)CNCCc1ncc(C2CCOC2C)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QQKKAFGSGLCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)8-15-6-4-14-16-9-13(18-14)12-5-7-17-11(12)3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79762845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).