6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine

C11H18N4O3 — CID 80871108

IUPAC6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
SMILESCCN(CC)CCOc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-3-14(4-2)7-8-18-11-9(15(16)17)5-6-10(12)13-11/h5-6H,3-4,7-8H2,1-2H3,(H2,12,13)
InChIKeyNTPUJQKTCOUCKD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.29
Rot. Bonds7

About 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine

6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine (PubChem CID 80871108) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
PubChem CID80871108
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
SMILESCCN(CC)CCOc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-3-14(4-2)7-8-18-11-9(15(16)17)5-6-10(12)13-11/h5-6H,3-4,7-8H2,1-2H3,(H2,12,13)
InChIKeyNTPUJQKTCOUCKD-UHFFFAOYSA-N
XLogP1.29
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
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

6-but-3-enoxy-5-nitropyridin-2-amine
CID 80862118
N-[2-[(6-chloro-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505475
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine
CID 80772125
2-(4-bromo-2-nitrophenoxy)-N,N-diethylethanamine
CID 61373429
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
6-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
CID 80859627
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
CID 80821307
6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine
CID 80858797

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine (CID 80871108) is 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine is CCN(CC)CCOc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine?
The InChIKey is NTPUJQKTCOUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-14(4-2)7-8-18-11-9(15(16)17)5-6-10(12)13-11/h5-6H,3-4,7-8H2,1-2H3,(H2,12,13).
What are the key properties of 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine?
6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine is sourced from PubChem (CID 80871108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).