magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide

C15H24BrMgN3O3+2 — CID 173354217

IUPACmagnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide
SMILESBr.C=CCC(O)C(N)CCCNc1cc(C)ccc1[N+](=O)[O-].[Mg+2]
InChIInChI=1S/C15H23N3O3.BrH.Mg/c1-3-5-15(19)12(16)6-4-9-17-13-10-11(2)7-8-14(13)18(20)21;;/h3,7-8,10,12,15,17,19H,1,4-6,9,16H2,2H3;1H;/q;;+2
InChIKeyGYFOPBGETYPAHD-UHFFFAOYSA-N
MW398.58 g/mol
LogP2.56
Rot. Bonds9

About magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide

magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide (PubChem CID 173354217) has the molecular formula C15H24BrMgN3O3+2 and a molecular weight of 398.58 g/mol. Its IUPAC name is magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide.

Molecular Properties

Compound Namemagnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide
PubChem CID173354217
Molecular FormulaC15H24BrMgN3O3+2
Molecular Weight398.58 g/mol
Exact Mass397.08
IUPAC Namemagnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide
SMILESBr.C=CCC(O)C(N)CCCNc1cc(C)ccc1[N+](=O)[O-].[Mg+2]
InChIInChI=1S/C15H23N3O3.BrH.Mg/c1-3-5-15(19)12(16)6-4-9-17-13-10-11(2)7-8-14(13)18(20)21;;/h3,7-8,10,12,15,17,19H,1,4-6,9,16H2,2H3;1H;/q;;+2
InChIKeyGYFOPBGETYPAHD-UHFFFAOYSA-N
XLogP2.56
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 52.56
H-Bond Donors ≤ 53
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

(2S)-2-amino-4-(5-methyl-2-nitroanilino)butanoic acid
CID 10491077
5-methyl-2-nitro-N-octylaniline
CID 115568902
5-methyl-2-nitro-N-(2-prop-2-enoxypropyl)aniline
CID 114263328
5-methyl-N-(2-methylpropyl)-2-nitroaniline
CID 75356397
3-(4-hydroxypentylamino)-N-methyl-4-nitrobenzamide
CID 106128772
4-methyl-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115912338
N-(2-methoxypropyl)-5-methyl-2-nitroaniline
CID 102698941
3-(5-methylhexylamino)-4-nitrobenzamide
CID 82995129
5-(5-bromo-2-nitroanilino)-2-methylpentanoic acid
CID 104683151
methyl 3-(3-aminopropylamino)-4-nitrobenzoate
CID 67235731
N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide
CID 82990644
(2S)-2-amino-2-(cyclohexanecarbonyl)-5-(5-methyl-2-nitroanilino)pentanoic acid
CID 18656156

Frequently Asked Questions

What is the IUPAC name of magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide?
The IUPAC name of magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide (CID 173354217) is magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide.
What is the SMILES notation for magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide?
The canonical SMILES for magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide is Br.C=CCC(O)C(N)CCCNc1cc(C)ccc1[N+](=O)[O-].[Mg+2].
What is the InChIKey of magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide?
The InChIKey is GYFOPBGETYPAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.BrH.Mg/c1-3-5-15(19)12(16)6-4-9-17-13-10-11(2)7-8-14(13)18(20)21;;/h3,7-8,10,12,15,17,19H,1,4-6,9,16H2,2H3;1H;/q;;+2.
What are the key properties of magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide?
magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide has a molecular weight of 398.58 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-amino-8-(5-methyl-2-nitroanilino)oct-1-en-4-ol;hydrobromide is sourced from PubChem (CID 173354217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).