6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine

C12H17N3O3 — CID 115715261

IUPAC6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
SMILESC=C(C)COCCNc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9(2)8-18-7-6-13-12-11(15(16)17)5-4-10(3)14-12/h4-5H,1,6-8H2,2-3H3,(H,13,14)
InChIKeyMHBIRSJVMBIGHX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.30
Rot. Bonds7

About 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine

6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine (PubChem CID 115715261) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
PubChem CID115715261
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
SMILESC=C(C)COCCNc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9(2)8-18-7-6-13-12-11(15(16)17)5-4-10(3)14-12/h4-5H,1,6-8H2,2-3H3,(H,13,14)
InChIKeyMHBIRSJVMBIGHX-UHFFFAOYSA-N
XLogP2.30
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.30
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

6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 114156896
formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 175490837
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
CID 103779538
N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitro-3-(trifluoromethyl)aniline
CID 115698626
6-[2-(2-methylprop-2-enoxy)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472118
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 115698526
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine (CID 115715261) is 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine is C=C(C)COCCNc1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
The InChIKey is MHBIRSJVMBIGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(2)8-18-7-6-13-12-11(15(16)17)5-4-10(3)14-12/h4-5H,1,6-8H2,2-3H3,(H,13,14).
What are the key properties of 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 115715261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).