N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine

C13H20N4O2 — CID 81136340

IUPACN-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N(C)C2CCCC2CN)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-7-12(17(18)19)13(15-9)16(2)11-5-3-4-10(11)8-14/h6-7,10-11H,3-5,8,14H2,1-2H3
InChIKeyHMAHXCUZJJUIHK-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine

N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine (PubChem CID 81136340) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
PubChem CID81136340
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N(C)C2CCCC2CN)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-7-12(17(18)19)13(15-9)16(2)11-5-3-4-10(11)8-14/h6-7,10-11H,3-5,8,14H2,1-2H3
InChIKeyHMAHXCUZJJUIHK-UHFFFAOYSA-N
XLogP1.86
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
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-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine (CID 81136340) is N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(N(C)C2CCCC2CN)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine?
The InChIKey is HMAHXCUZJJUIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-7-12(17(18)19)13(15-9)16(2)11-5-3-4-10(11)8-14/h6-7,10-11H,3-5,8,14H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine is sourced from PubChem (CID 81136340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).