N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine

C11H15N3O3 — CID 114468787

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine
SMILESC=C(C)COCCNc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H15N3O3/c1-9(2)8-17-6-5-13-11-7-10(14(15)16)3-4-12-11/h3-4,7H,1,5-6,8H2,2H3,(H,12,13)
InChIKeyFSWXWRUVOVDAFL-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine (PubChem CID 114468787) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine
PubChem CID114468787
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine
SMILESC=C(C)COCCNc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H15N3O3/c1-9(2)8-17-6-5-13-11-7-10(14(15)16)3-4-12-11/h3-4,7H,1,5-6,8H2,2H3,(H,12,13)
InChIKeyFSWXWRUVOVDAFL-UHFFFAOYSA-N
XLogP1.99
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 114468800
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-nitrophenyl)ethanamine
CID 115698245
2-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitrobenzenesulfonamide
CID 115698751
N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62979922
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261
2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-5-nitrobenzamide
CID 115700390
3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 115698526
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 114156896
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 106105408
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine (CID 114468787) is N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine is C=C(C)COCCNc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine?
The InChIKey is FSWXWRUVOVDAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-9(2)8-17-6-5-13-11-7-10(14(15)16)3-4-12-11/h3-4,7H,1,5-6,8H2,2H3,(H,12,13).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 114468787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).