2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine

C12H20N4O2 — CID 104540937

IUPAC2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-9(2)7-12(3,8-13)15-10-5-4-6-14-11(10)16(17)18/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeySSIAGKORKLXVTC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.17
Rot. Bonds6

About 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine

2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine (PubChem CID 104540937) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
PubChem CID104540937
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-9(2)7-12(3,8-13)15-10-5-4-6-14-11(10)16(17)18/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeySSIAGKORKLXVTC-UHFFFAOYSA-N
XLogP2.17
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.17
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

2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897
2-N-(4-fluoro-2-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 115310095
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
CID 116783607
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
N-methyl-2-nitropyridin-3-amine
CID 555983
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 115310076
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide
CID 115310146
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine (CID 104540937) is 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine is CC(C)CC(C)(CN)Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine?
The InChIKey is SSIAGKORKLXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)7-12(3,8-13)15-10-5-4-6-14-11(10)16(17)18/h4-6,9,15H,7-8,13H2,1-3H3.
What are the key properties of 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine?
2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine is sourced from PubChem (CID 104540937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).