2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

C14H25N3O — CID 64723579

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCc2cn[nH]c2)C1(C)C
InChIInChI=1S/C14H25N3O/c1-10(2)9-18-13-5-12(14(13,3)4)15-6-11-7-16-17-8-11/h7-8,10,12-13,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyCDDJJCOIFMFLMB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 64723579) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID64723579
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCc2cn[nH]c2)C1(C)C
InChIInChI=1S/C14H25N3O/c1-10(2)9-18-13-5-12(14(13,3)4)15-6-11-7-16-17-8-11/h7-8,10,12-13,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyCDDJJCOIFMFLMB-UHFFFAOYSA-N
XLogP2.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (CID 64723579) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is CC(C)COC1CC(NCc2cn[nH]c2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is CDDJJCOIFMFLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)9-18-13-5-12(14(13,3)4)15-6-11-7-16-17-8-11/h7-8,10,12-13,15H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 64723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).