N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine

C13H19N3O3 — CID 81138260

IUPACN-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCOC2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-10-6-7-12(16(17)18)13(15-10)14-8-9-19-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyJFOSZLQGTAPZLV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine

N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 81138260) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID81138260
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCOC2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-10-6-7-12(16(17)18)13(15-10)14-8-9-19-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyJFOSZLQGTAPZLV-UHFFFAOYSA-N
XLogP2.67
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
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

6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
CID 103779538
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 175490837
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
3-bromo-N-(2-cyclopentyloxyethyl)-4-methyl-5-nitropyridin-2-amine
CID 104507993
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
CID 63828659

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine (CID 81138260) is N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCCOC2CCCC2)n1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is JFOSZLQGTAPZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-6-7-12(16(17)18)13(15-10)14-8-9-19-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine?
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 81138260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).