6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine

C12H17N3O2 — CID 80711618

IUPAC6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
SMILESCc1nc(NC2(C)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O2/c1-9-10(15(16)17)5-6-11(13-9)14-12(2)7-3-4-8-12/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyZRVQIFWWXPRKPQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.04
Rot. Bonds3

About 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine

6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine (PubChem CID 80711618) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
PubChem CID80711618
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
SMILESCc1nc(NC2(C)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O2/c1-9-10(15(16)17)5-6-11(13-9)14-12(2)7-3-4-8-12/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyZRVQIFWWXPRKPQ-UHFFFAOYSA-N
XLogP3.04
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.04
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

1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
N-(1-methylcyclopentyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 61368890
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine
CID 84588427
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine (CID 80711618) is 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine is Cc1nc(NC2(C)CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine?
The InChIKey is ZRVQIFWWXPRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-10(15(16)17)5-6-11(13-9)14-12(2)7-3-4-8-12/h5-6H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine?
6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80711618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).