N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine

C13H19N3O2 — CID 115880998

IUPACN-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC2CCC(C)(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O2/c1-9-6-11(16(17)18)12(14-8-9)15-10-4-5-13(2,3)7-10/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyBWONQEKYOSBACE-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine

N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine (PubChem CID 115880998) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
PubChem CID115880998
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC2CCC(C)(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O2/c1-9-6-11(16(17)18)12(14-8-9)15-10-4-5-13(2,3)7-10/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyBWONQEKYOSBACE-UHFFFAOYSA-N
XLogP3.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
6-[(3,3-dimethylcyclopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114546978
N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 66279180
6-[(4,4-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471718
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 104695809
5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 66280270
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114542334
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
CID 103742736
N-(3,3-dimethylcyclopentyl)-2,4-difluoro-5-nitroaniline
CID 80705925
N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
CID 103863939
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine (CID 115880998) is N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NC2CCC(C)(C)C2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is BWONQEKYOSBACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-11(16(17)18)12(14-8-9)15-10-4-5-13(2,3)7-10/h6,8,10H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine?
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 115880998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).