6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine

C10H16N4O3 — CID 114071350

IUPAC6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine
SMILESCN(C)CCCOc1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H16N4O3/c1-13(2)4-3-5-17-10-7-8(14(15)16)6-9(11)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12)
InChIKeyPOBHBRLBMDYMLA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.90
Rot. Bonds6

About 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine

6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine (PubChem CID 114071350) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine
PubChem CID114071350
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine
SMILESCN(C)CCCOc1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H16N4O3/c1-13(2)4-3-5-17-10-7-8(14(15)16)6-9(11)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12)
InChIKeyPOBHBRLBMDYMLA-UHFFFAOYSA-N
XLogP0.90
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
3-chloro-2-[3-(dimethylamino)propoxy]-5-nitrobenzoic acid
CID 107186828
3-[3-(dimethylamino)propoxy]-5-nitro-N-propylaniline
CID 80871824
6-(2-bromophenoxy)-4-nitropyridin-2-amine
CID 114071337
6-N-methyl-6-N-(2-methylsulfonylethyl)-4-nitropyridine-2,6-diamine
CID 114071220
2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol
CID 114071256
N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine
CID 146212247
3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 114071132
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 80920197
4-nitro-6-propan-2-ylpyridin-2-amine
CID 21495074
4-nitro-2,6-dipropoxyaniline
CID 54333696
6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774322

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine (CID 114071350) is 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine is CN(C)CCCOc1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine?
The InChIKey is POBHBRLBMDYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(2)4-3-5-17-10-7-8(14(15)16)6-9(11)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine?
6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine has a molecular weight of 240.26 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine is sourced from PubChem (CID 114071350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).