2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine

C11H18N4O2 — CID 106332163

IUPAC2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
SMILESCCC(C)(CC)Nc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-4-11(3,5-2)14-10-8(15(16)17)6-7-9(12)13-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14)
InChIKeyIOQAXOGWEMSJKY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.56
Rot. Bonds5

About 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine

2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine (PubChem CID 106332163) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
PubChem CID106332163
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
SMILESCCC(C)(CC)Nc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-4-11(3,5-2)14-10-8(15(16)17)6-7-9(12)13-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14)
InChIKeyIOQAXOGWEMSJKY-UHFFFAOYSA-N
XLogP2.56
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.56
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

3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106178760
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 80850691
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
3-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106179181
3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
CID 80849081
2-N-(3-ethylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80839068
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 80841044
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106343419
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine (CID 106332163) is 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine is CCC(C)(CC)Nc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
The InChIKey is IOQAXOGWEMSJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-11(3,5-2)14-10-8(15(16)17)6-7-9(12)13-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine has a molecular weight of 238.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 106332163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).