N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine

C12H18N4O2 — CID 81135916

IUPACN-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2(CN)CCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-4-5-10(16(17)18)11(14-9)15-12(8-13)6-2-3-7-12/h4-5H,2-3,6-8,13H2,1H3,(H,14,15)
InChIKeyUQGBVQUXKIRXOE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.98
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine

N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine (PubChem CID 81135916) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
PubChem CID81135916
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2(CN)CCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-4-5-10(16(17)18)11(14-9)15-12(8-13)6-2-3-7-12/h4-5H,2-3,6-8,13H2,1H3,(H,14,15)
InChIKeyUQGBVQUXKIRXOE-UHFFFAOYSA-N
XLogP1.98
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299450
N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine
CID 83271785
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235
N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
CID 81139047
6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 113260898
1-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312206
2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 113283619
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine
CID 63886836

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine (CID 81135916) is N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NC2(CN)CCCC2)n1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine?
The InChIKey is UQGBVQUXKIRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-4-5-10(16(17)18)11(14-9)15-12(8-13)6-2-3-7-12/h4-5H,2-3,6-8,13H2,1H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine?
N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 81135916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).