N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine

C12H18N4O3 — CID 115633969

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
SMILESCCN1CCOC(CNc2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C12H18N4O3/c1-2-15-5-6-19-11(9-15)8-13-10-3-4-12(14-7-10)16(17)18/h3-4,7,11,13H,2,5-6,8-9H2,1H3
InChIKeySSPUYDFDJMHJTE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.12
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine

N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine (PubChem CID 115633969) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
PubChem CID115633969
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
SMILESCCN1CCOC(CNc2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C12H18N4O3/c1-2-15-5-6-19-11(9-15)8-13-10-3-4-12(14-7-10)16(17)18/h3-4,7,11,13H,2,5-6,8-9H2,1H3
InChIKeySSPUYDFDJMHJTE-UHFFFAOYSA-N
XLogP1.12
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.12
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

N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-nitropyridin-3-amine
CID 78992980
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 115619052
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
CID 63897277
6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
CID 63713128

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine (CID 115633969) is N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine is CCN1CCOC(CNc2ccc([N+](=O)[O-])nc2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine?
The InChIKey is SSPUYDFDJMHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-15-5-6-19-11(9-15)8-13-10-3-4-12(14-7-10)16(17)18/h3-4,7,11,13H,2,5-6,8-9H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine has a molecular weight of 266.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 115633969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).