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

C11H17N3O3 — CID 62098823

IUPACN-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
SMILESCCCNCCOc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-3-6-12-7-8-17-10-5-4-9(2)13-11(10)14(15)16/h4-5,12H,3,6-8H2,1-2H3
InChIKeyUTHHQLNBXUFZCT-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.68
Rot. Bonds7

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

N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine (PubChem CID 62098823) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
PubChem CID62098823
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
SMILESCCCNCCOc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-3-6-12-7-8-17-10-5-4-9(2)13-11(10)14(15)16/h4-5,12H,3,6-8H2,1-2H3
InChIKeyUTHHQLNBXUFZCT-UHFFFAOYSA-N
XLogP1.68
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine (CID 62098823) is N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine is CCCNCCOc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine?
The InChIKey is UTHHQLNBXUFZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-6-12-7-8-17-10-5-4-9(2)13-11(10)14(15)16/h4-5,12H,3,6-8H2,1-2H3.
What are the key properties of N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine?
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 62098823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).