N-(2-cyclopentylethyl)-2-nitropyridin-3-amine

C12H17N3O2 — CID 112685150

IUPACN-(2-cyclopentylethyl)-2-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NCCC1CCCC1
InChIInChI=1S/C12H17N3O2/c16-15(17)12-11(6-3-8-14-12)13-9-7-10-4-1-2-5-10/h3,6,8,10,13H,1-2,4-5,7,9H2
InChIKeyFPBBDYHSQYNMCX-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.98
Rot. Bonds5

About N-(2-cyclopentylethyl)-2-nitropyridin-3-amine

N-(2-cyclopentylethyl)-2-nitropyridin-3-amine (PubChem CID 112685150) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-nitropyridin-3-amine
PubChem CID112685150
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-cyclopentylethyl)-2-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NCCC1CCCC1
InChIInChI=1S/C12H17N3O2/c16-15(17)12-11(6-3-8-14-12)13-9-7-10-4-1-2-5-10/h3,6,8,10,13H,1-2,4-5,7,9H2
InChIKeyFPBBDYHSQYNMCX-UHFFFAOYSA-N
XLogP2.98
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
CID 104540743
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
2-nitro-N-pent-4-ynylpyridin-3-amine
CID 103704442
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
2-nitro-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 115585673
N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
CID 114990616
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-nitropyridin-3-amine?
The IUPAC name of N-(2-cyclopentylethyl)-2-nitropyridin-3-amine (CID 112685150) is N-(2-cyclopentylethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-nitropyridin-3-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-2-nitropyridin-3-amine is O=[N+]([O-])c1ncccc1NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-nitropyridin-3-amine?
The InChIKey is FPBBDYHSQYNMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-15(17)12-11(6-3-8-14-12)13-9-7-10-4-1-2-5-10/h3,6,8,10,13H,1-2,4-5,7,9H2.
What are the key properties of N-(2-cyclopentylethyl)-2-nitropyridin-3-amine?
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine has a molecular weight of 235.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 112685150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).