N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine

C13H19N3O2 — CID 83267136

IUPACN-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NC(C)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-9-8-14-13(7-12(9)16(17)18)15-10(2)11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,14,15)
InChIKeyFVLBNMUFZRRDQC-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds4

About N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine

N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine (PubChem CID 83267136) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
PubChem CID83267136
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NC(C)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-9-8-14-13(7-12(9)16(17)18)15-10(2)11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,14,15)
InChIKeyFVLBNMUFZRRDQC-UHFFFAOYSA-N
XLogP3.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
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-(1-cyclopentylethyl)-2,5-dimethyl-4-nitroaniline
CID 103144991
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
CID 103145121
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
N-(1-cyclobutylethyl)-3-methyl-4-nitroaniline
CID 115766646
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 79176066

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine (CID 83267136) is N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine is Cc1cnc(NC(C)C2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine?
The InChIKey is FVLBNMUFZRRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-14-13(7-12(9)16(17)18)15-10(2)11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine?
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83267136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).