3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine

C15H27N3O — CID 75482998

IUPAC3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine
SMILESCOC1(C)CC(NC(C)Cc2cc(C)[nH]n2)C1(C)C
InChIInChI=1S/C15H27N3O/c1-10(7-12-8-11(2)17-18-12)16-13-9-15(5,19-6)14(13,3)4/h8,10,13,16H,7,9H2,1-6H3,(H,17,18)
InChIKeyLKLOVEYWKFVHRU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.44
Rot. Bonds5

About 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine

3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine (PubChem CID 75482998) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine
PubChem CID75482998
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine
SMILESCOC1(C)CC(NC(C)Cc2cc(C)[nH]n2)C1(C)C
InChIInChI=1S/C15H27N3O/c1-10(7-12-8-11(2)17-18-12)16-13-9-15(5,19-6)14(13,3)4/h8,10,13,16H,7,9H2,1-6H3,(H,17,18)
InChIKeyLKLOVEYWKFVHRU-UHFFFAOYSA-N
XLogP2.44
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine (CID 75482998) is 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine is COC1(C)CC(NC(C)Cc2cc(C)[nH]n2)C1(C)C.
What is the InChIKey of 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine?
The InChIKey is LKLOVEYWKFVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(7-12-8-11(2)17-18-12)16-13-9-15(5,19-6)14(13,3)4/h8,10,13,16H,7,9H2,1-6H3,(H,17,18).
What are the key properties of 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine?
3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,3-trimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 75482998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).