N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine

C14H22N4O3 — CID 115323291

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
SMILESCCN(c1nc(OC)ccc1[N+](=O)[O-])C1CCCC1CN
InChIInChI=1S/C14H22N4O3/c1-3-17(11-6-4-5-10(11)9-15)14-12(18(19)20)7-8-13(16-14)21-2/h7-8,10-11H,3-6,9,15H2,1-2H3
InChIKeyFNOWBRNLVUDECV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine (PubChem CID 115323291) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
PubChem CID115323291
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
SMILESCCN(c1nc(OC)ccc1[N+](=O)[O-])C1CCCC1CN
InChIInChI=1S/C14H22N4O3/c1-3-17(11-6-4-5-10(11)9-15)14-12(18(19)20)7-8-13(16-14)21-2/h7-8,10-11H,3-6,9,15H2,1-2H3
InChIKeyFNOWBRNLVUDECV-UHFFFAOYSA-N
XLogP1.95
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
CID 115323428
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 81136340
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-iodo-4-nitroaniline
CID 106493485
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine
CID 103519630
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
CID 79176166
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-6-nitroaniline
CID 115553906
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66333560
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine (CID 115323291) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine is CCN(c1nc(OC)ccc1[N+](=O)[O-])C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is FNOWBRNLVUDECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-17(11-6-4-5-10(11)9-15)14-12(18(19)20)7-8-13(16-14)21-2/h7-8,10-11H,3-6,9,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 294.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 115323291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).