[2-(3-amino-5-nitroanilino)cyclohexyl]methanol

C13H19N3O3 — CID 106368183

IUPAC[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
SMILESNc1cc(NC2CCCCC2CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c14-10-5-11(7-12(6-10)16(18)19)15-13-4-2-1-3-9(13)8-17/h5-7,9,13,15,17H,1-4,8,14H2
InChIKeyMBZZILKLSSFDDE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.14
Rot. Bonds4

About [2-(3-amino-5-nitroanilino)cyclohexyl]methanol

[2-(3-amino-5-nitroanilino)cyclohexyl]methanol (PubChem CID 106368183) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(3-amino-5-nitroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
PubChem CID106368183
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
SMILESNc1cc(NC2CCCCC2CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c14-10-5-11(7-12(6-10)16(18)19)15-13-4-2-1-3-9(13)8-17/h5-7,9,13,15,17H,1-4,8,14H2
InChIKeyMBZZILKLSSFDDE-UHFFFAOYSA-N
XLogP2.14
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
CID 106368067
[2-(3-nitroanilino)cyclopentyl]methanol
CID 103703697
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106368323
3-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]benzenesulfonamide
CID 106359193
3-N-(2,3-dimethylcyclohexyl)-5-nitrobenzene-1,3-diamine
CID 80777740
3-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-nitrobenzene-1,3-diamine
CID 80785942
3-[[2-(2-hydroxyethyl)cyclopentyl]amino]-5-nitrobenzenesulfonamide
CID 133496467
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
3-N-(3-ethyl-2-methylcyclopentyl)-5-nitrobenzene-1,3-diamine
CID 80841387
N-[2-(aminomethyl)cyclohexyl]-3-ethoxy-5-nitroaniline
CID 80744511
3-N-(2-bicyclo[2.2.1]heptanyl)-5-nitrobenzene-1,3-diamine
CID 80837421
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-nitrobenzoic acid
CID 106361835

Frequently Asked Questions

What is the IUPAC name of [2-(3-amino-5-nitroanilino)cyclohexyl]methanol?
The IUPAC name of [2-(3-amino-5-nitroanilino)cyclohexyl]methanol (CID 106368183) is [2-(3-amino-5-nitroanilino)cyclohexyl]methanol.
What is the SMILES notation for [2-(3-amino-5-nitroanilino)cyclohexyl]methanol?
The canonical SMILES for [2-(3-amino-5-nitroanilino)cyclohexyl]methanol is Nc1cc(NC2CCCCC2CO)cc([N+](=O)[O-])c1.
What is the InChIKey of [2-(3-amino-5-nitroanilino)cyclohexyl]methanol?
The InChIKey is MBZZILKLSSFDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-10-5-11(7-12(6-10)16(18)19)15-13-4-2-1-3-9(13)8-17/h5-7,9,13,15,17H,1-4,8,14H2.
What are the key properties of [2-(3-amino-5-nitroanilino)cyclohexyl]methanol?
[2-(3-amino-5-nitroanilino)cyclohexyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-5-nitroanilino)cyclohexyl]methanol is sourced from PubChem (CID 106368183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).