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

C11H18N4O2 — CID 106329524

IUPAC6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
SMILESCCC(C)(CC)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H18N4O2/c1-4-11(3,5-2)14-9-7-6-8(15(16)17)10(12)13-9/h6-7H,4-5H2,1-3H3,(H3,12,13,14)
InChIKeyLMNJMJZWDWPQCV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.56
Rot. Bonds5

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

6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine (PubChem CID 106329524) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
PubChem CID106329524
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
SMILESCCC(C)(CC)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H18N4O2/c1-4-11(3,5-2)14-9-7-6-8(15(16)17)10(12)13-9/h6-7H,4-5H2,1-3H3,(H3,12,13,14)
InChIKeyLMNJMJZWDWPQCV-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

6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 113450416
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 79816009

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine (CID 106329524) is 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine is CCC(C)(CC)Nc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
The InChIKey is LMNJMJZWDWPQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-11(3,5-2)14-9-7-6-8(15(16)17)10(12)13-9/h6-7H,4-5H2,1-3H3,(H3,12,13,14).
What are the key properties of 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine?
6-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 6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 106329524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).