N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine

C13H19BrN4O2 — CID 103519630

IUPACN-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine
SMILESCCN(c1c(Br)cncc1[N+](=O)[O-])C1CCCC1CN
InChIInChI=1S/C13H19BrN4O2/c1-2-17(11-5-3-4-9(11)6-15)13-10(14)7-16-8-12(13)18(19)20/h7-9,11H,2-6,15H2,1H3
InChIKeyFEPKIRPUYJAFCG-UHFFFAOYSA-N
MW343.23 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine

N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine (PubChem CID 103519630) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine
PubChem CID103519630
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine
SMILESCCN(c1c(Br)cncc1[N+](=O)[O-])C1CCCC1CN
InChIInChI=1S/C13H19BrN4O2/c1-2-17(11-5-3-4-9(11)6-15)13-10(14)7-16-8-12(13)18(19)20/h7-9,11H,2-6,15H2,1H3
InChIKeyFEPKIRPUYJAFCG-UHFFFAOYSA-N
XLogP2.71
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 52.71
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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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
CID 79176166
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-6-nitroaniline
CID 115553906
2-[(3-bromo-5-nitro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 103519756
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methyl-5-nitroaniline
CID 115981523
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-iodo-4-nitroaniline
CID 106493485
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
CID 115323291
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
CID 79524147
N-[2-(aminomethyl)cyclopentyl]-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176067
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164
3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine
CID 103877913
N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 81136340

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine (CID 103519630) is N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine is CCN(c1c(Br)cncc1[N+](=O)[O-])C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine?
The InChIKey is FEPKIRPUYJAFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-2-17(11-5-3-4-9(11)6-15)13-10(14)7-16-8-12(13)18(19)20/h7-9,11H,2-6,15H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine?
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine is sourced from PubChem (CID 103519630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).