N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C14H25N3O — CID 113344558

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(C2OCCC2CNCC(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-4-17-10-13(9-16-17)14-12(5-6-18-14)8-15-7-11(2)3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyMTYQBNYRVNHTDU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.23
Rot. Bonds6

About N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 113344558) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID113344558
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(C2OCCC2CNCC(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-4-17-10-13(9-16-17)14-12(5-6-18-14)8-15-7-11(2)3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyMTYQBNYRVNHTDU-UHFFFAOYSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 113344558) is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CCn1cc(C2OCCC2CNCC(C)C)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is MTYQBNYRVNHTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17-10-13(9-16-17)14-12(5-6-18-14)8-15-7-11(2)3/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113344558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).