N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine

C14H21N3O2 — CID 83269056

IUPACN-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine
SMILESCCC1CCC(Nc2cc([N+](=O)[O-])c(C)cn2)C1C
InChIInChI=1S/C14H21N3O2/c1-4-11-5-6-12(10(11)3)16-14-7-13(17(18)19)9(2)8-15-14/h7-8,10-12H,4-6H2,1-3H3,(H,15,16)
InChIKeyIFWFBMBAGZVFPU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.53
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine

N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine (PubChem CID 83269056) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine
PubChem CID83269056
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine
SMILESCCC1CCC(Nc2cc([N+](=O)[O-])c(C)cn2)C1C
InChIInChI=1S/C14H21N3O2/c1-4-11-5-6-12(10(11)3)16-14-7-13(17(18)19)9(2)8-15-14/h7-8,10-12H,4-6H2,1-3H3,(H,15,16)
InChIKeyIFWFBMBAGZVFPU-UHFFFAOYSA-N
XLogP3.53
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.53
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

2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432
N-(3-ethyl-2-methylcyclopentyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079965
N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine
CID 64923576
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
CID 64922502
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
3-N-(3-ethyl-2-methylcyclopentyl)-5-nitrobenzene-1,3-diamine
CID 80841387
2-[(3-ethyl-2-methylcyclopentyl)amino]-3-nitrobenzoic acid
CID 115932471
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
3-N-(3-ethyl-2-methylcyclopentyl)-2-nitrobenzene-1,3-diamine
CID 80841593

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine (CID 83269056) is N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine is CCC1CCC(Nc2cc([N+](=O)[O-])c(C)cn2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine?
The InChIKey is IFWFBMBAGZVFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-11-5-6-12(10(11)3)16-14-7-13(17(18)19)9(2)8-15-14/h7-8,10-12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine?
N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83269056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).