2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine

C15H23N3O3 — CID 66352883

IUPAC2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-5-15(6-2)12(16-4)9-13(15)21-11-8-7-10(3)17-14(11)18(19)20/h7-8,12-13,16H,5-6,9H2,1-4H3
InChIKeyBRBXYOIHMDRPHU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.84
Rot. Bonds6

About 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine

2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine (PubChem CID 66352883) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine
PubChem CID66352883
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-5-15(6-2)12(16-4)9-13(15)21-11-8-7-10(3)17-14(11)18(19)20/h7-8,12-13,16H,5-6,9H2,1-4H3
InChIKeyBRBXYOIHMDRPHU-UHFFFAOYSA-N
XLogP2.84
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine (CID 66352883) is 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine is CCC1(CC)C(NC)CC1Oc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine?
The InChIKey is BRBXYOIHMDRPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-15(6-2)12(16-4)9-13(15)21-11-8-7-10(3)17-14(11)18(19)20/h7-8,12-13,16H,5-6,9H2,1-4H3.
What are the key properties of 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine?
2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 66352883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).