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

C12H17BrN4O2 — CID 79524147

IUPACN-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
SMILESCN(c1ncc([N+](=O)[O-])cc1Br)C1CCCC1CN
InChIInChI=1S/C12H17BrN4O2/c1-16(11-4-2-3-8(11)6-14)12-10(13)5-9(7-15-12)17(18)19/h5,7-8,11H,2-4,6,14H2,1H3
InChIKeyJIAGMQIGWJRAMZ-UHFFFAOYSA-N
MW329.20 g/mol
LogP2.32
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine (PubChem CID 79524147) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
PubChem CID79524147
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
SMILESCN(c1ncc([N+](=O)[O-])cc1Br)C1CCCC1CN
InChIInChI=1S/C12H17BrN4O2/c1-16(11-4-2-3-8(11)6-14)12-10(13)5-9(7-15-12)17(18)19/h5,7-8,11H,2-4,6,14H2,1H3
InChIKeyJIAGMQIGWJRAMZ-UHFFFAOYSA-N
XLogP2.32
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 52.32
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-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653369
N-[2-(aminomethyl)cyclopentyl]-2,6-dichloro-N-methyl-4-nitroaniline
CID 106891824
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
N-[2-(aminomethyl)cyclopentyl]-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176067
N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 81136340
4-N-(3-bromo-5-nitro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79531137
1-N-[2-(aminomethyl)cyclopentyl]-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106749892
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine
CID 106540789
N-[2-(aminomethyl)cyclopentyl]-3-iodo-N-methyl-4-nitroaniline
CID 106493484
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine
CID 103519630
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389
5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one
CID 114445933

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine (CID 79524147) is N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine is CN(c1ncc([N+](=O)[O-])cc1Br)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine?
The InChIKey is JIAGMQIGWJRAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-16(11-4-2-3-8(11)6-14)12-10(13)5-9(7-15-12)17(18)19/h5,7-8,11H,2-4,6,14H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 2.32, 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]-3-bromo-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79524147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).