6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine

C10H17N5O2 — CID 79825900

IUPAC6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
SMILESCC(CNc1ccc([N+](=O)[O-])c(N)n1)N(C)C
InChIInChI=1S/C10H17N5O2/c1-7(14(2)3)6-12-9-5-4-8(15(16)17)10(11)13-9/h4-5,7H,6H2,1-3H3,(H3,11,12,13)
InChIKeyVZHOIFBPKHNHNK-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.93
Rot. Bonds5

About 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine

6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine (PubChem CID 79825900) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
PubChem CID79825900
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
SMILESCC(CNc1ccc([N+](=O)[O-])c(N)n1)N(C)C
InChIInChI=1S/C10H17N5O2/c1-7(14(2)3)6-12-9-5-4-8(15(16)17)10(11)13-9/h4-5,7H,6H2,1-3H3,(H3,11,12,13)
InChIKeyVZHOIFBPKHNHNK-UHFFFAOYSA-N
XLogP0.93
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
6-N-[2-(dimethylamino)propyl]pyridine-2,3,6-triamine
CID 79828257
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 113450416
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine (CID 79825900) is 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine is CC(CNc1ccc([N+](=O)[O-])c(N)n1)N(C)C.
What is the InChIKey of 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine?
The InChIKey is VZHOIFBPKHNHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(14(2)3)6-12-9-5-4-8(15(16)17)10(11)13-9/h4-5,7H,6H2,1-3H3,(H3,11,12,13).
What are the key properties of 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine?
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine has a molecular weight of 239.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79825900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).