N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine

C10H16N4O2 — CID 115303127

IUPACN,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
SMILESCNCC(C)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O2/c1-8(5-11-2)6-12-10-4-3-9(7-13-10)14(15)16/h3-4,7-8,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyXLJYOCXMHYSMMC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.26
Rot. Bonds6

About N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine

N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine (PubChem CID 115303127) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
PubChem CID115303127
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
SMILESCNCC(C)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O2/c1-8(5-11-2)6-12-10-4-3-9(7-13-10)14(15)16/h3-4,7-8,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyXLJYOCXMHYSMMC-UHFFFAOYSA-N
XLogP1.26
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.26
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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Related Compounds

N,2-dimethyl-N'-(5-nitropyrimidin-2-yl)propane-1,3-diamine
CID 115303176
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303018
5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 113428773
5-nitro-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 124680383
N'-(5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63120270
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
CID 94825522

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine (CID 115303127) is N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine is CNCC(C)CNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is XLJYOCXMHYSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(5-11-2)6-12-10-4-3-9(7-13-10)14(15)16/h3-4,7-8,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine?
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 224.26 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 115303127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).