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

C10H15N3O3 — CID 115001598

IUPACN-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H15N3O3/c1-8(2)11-5-6-16-9-3-4-10(12-7-9)13(14)15/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyFXWIKUOLFQCVOO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.37
Rot. Bonds6

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

N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine (PubChem CID 115001598) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine
PubChem CID115001598
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H15N3O3/c1-8(2)11-5-6-16-9-3-4-10(12-7-9)13(14)15/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyFXWIKUOLFQCVOO-UHFFFAOYSA-N
XLogP1.37
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.37
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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Related Compounds

N-[2-[4-nitro-3-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 62348983
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
CID 103604292
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
(2R)-N-[2-(4-nitrophenoxy)ethyl]butan-2-amine
CID 2182561
3-(4-nitro-3-propoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 63676680
1-[5-[3-(propan-2-ylamino)propoxy]-2-pyridinyl]-2-sulfanylpropan-1-one
CID 146526537
4-methyl-N-[2-(4-nitrophenoxy)ethyl]pentan-2-amine
CID 54915420
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
CID 176845634
N-[2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 113420698
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
N-[2-(2-methyl-3-nitrophenoxy)ethyl]propan-2-amine
CID 43437967

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine (CID 115001598) is N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine is CC(C)NCCOc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine?
The InChIKey is FXWIKUOLFQCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8(2)11-5-6-16-9-3-4-10(12-7-9)13(14)15/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine?
N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 115001598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).