N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine

C12H18N4O2 — CID 83271785

IUPACN-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NC2(CN)CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-7-14-11(6-10(9)16(17)18)15-12(8-13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyKGZMWASWGAHLLR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.98
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine

N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine (PubChem CID 83271785) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine
PubChem CID83271785
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NC2(CN)CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-7-14-11(6-10(9)16(17)18)15-12(8-13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyKGZMWASWGAHLLR-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine (CID 83271785) is N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine is Cc1cnc(NC2(CN)CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine?
The InChIKey is KGZMWASWGAHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-7-14-11(6-10(9)16(17)18)15-12(8-13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine?
N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-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]-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83271785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).