3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol

C11H17N3O3 — CID 106171127

IUPAC3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H17N3O3/c1-3-11(2,6-7-15)13-9-4-5-10(12-8-9)14(16)17/h4-5,8,13,15H,3,6-7H2,1-2H3
InChIKeyCOPXDNYZRRXWBL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.95
Rot. Bonds6

About 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol

3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol (PubChem CID 106171127) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol
PubChem CID106171127
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H17N3O3/c1-3-11(2,6-7-15)13-9-4-5-10(12-8-9)14(16)17/h4-5,8,13,15H,3,6-7H2,1-2H3
InChIKeyCOPXDNYZRRXWBL-UHFFFAOYSA-N
XLogP1.95
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
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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Related Compounds

2-Amino-4-methyl-3-nitropyridine
CID 243166
2-Amino-4-methyl-5-nitropyridine
CID 243165
2-Amino-5-nitropyridine
CID 77888
N-methyl-5-nitropyridin-2-amine
CID 265883
2-((5-Nitro-2-pyridyl)amino)ethanol
CID 97005
2-Nitropyridin-3-amine
CID 83281
N-Ethyl-5-nitropyridin-2-amine
CID 97558
2-(3-Methoxypropylamino)-5-nitropyridine
CID 141255
1-(5-Nitropyridin-2-yl)piperidin-4-ol
CID 2859768
ethyl N-(2-nitropyridin-3-yl)carbamate
CID 2835550
Pyridine, 2-((2-methoxyethyl)amino)-5-nitro-
CID 96873
N-methyl-6-nitropyridin-3-amine
CID 60631613

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol (CID 106171127) is 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol is CCC(C)(CCO)Nc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol?
The InChIKey is COPXDNYZRRXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-11(2,6-7-15)13-9-4-5-10(12-8-9)14(16)17/h4-5,8,13,15H,3,6-7H2,1-2H3.
What are the key properties of 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol?
3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 106171127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).