N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine

C14H21N3O4 — CID 107943626

IUPACN-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-4-7-20-13-10(15-3)8-12(13)21-11-6-5-9(2)16-14(11)17(18)19/h5-6,10,12-13,15H,4,7-8H2,1-3H3
InChIKeyXNTXUGNYCCZILZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.83
Rot. Bonds7

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

N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine (PubChem CID 107943626) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
PubChem CID107943626
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-4-7-20-13-10(15-3)8-12(13)21-11-6-5-9(2)16-14(11)17(18)19/h5-6,10,12-13,15H,4,7-8H2,1-3H3
InChIKeyXNTXUGNYCCZILZ-UHFFFAOYSA-N
XLogP1.83
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-methyl-3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943455
3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942327
2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol
CID 113439670
2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine
CID 66352883
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 104676461
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
CID 62098823
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(3-bromo-2,2-dimethylcyclobutyl)oxy-6-methyl-2-nitropyridine
CID 66344314
N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943203
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
CID 104676250

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine?
The IUPAC name of N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine (CID 107943626) is N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1Oc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine?
The InChIKey is XNTXUGNYCCZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-7-20-13-10(15-3)8-12(13)21-11-6-5-9(2)16-14(11)17(18)19/h5-6,10,12-13,15H,4,7-8H2,1-3H3.
What are the key properties of N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine?
N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).