2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine

C13H25N3O — CID 81341307

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1cc(OCC(C)(C)CNCC(C)C)n[nH]1
InChIInChI=1S/C13H25N3O/c1-10(2)7-14-8-13(4,5)9-17-12-6-11(3)15-16-12/h6,10,14H,7-9H2,1-5H3,(H,15,16)
InChIKeyCKFDCYPITPLDNA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds7

About 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 81341307) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID81341307
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1cc(OCC(C)(C)CNCC(C)C)n[nH]1
InChIInChI=1S/C13H25N3O/c1-10(2)7-14-8-13(4,5)9-17-12-6-11(3)15-16-12/h6,10,14H,7-9H2,1-5H3,(H,15,16)
InChIKeyCKFDCYPITPLDNA-UHFFFAOYSA-N
XLogP2.37
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 81341307) is 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is Cc1cc(OCC(C)(C)CNCC(C)C)n[nH]1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is CKFDCYPITPLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)7-14-8-13(4,5)9-17-12-6-11(3)15-16-12/h6,10,14H,7-9H2,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 81341307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).