[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol

C13H19N3O3 — CID 106368067

IUPAC[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
SMILESCNc1cc(NC2CCCC2CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-14-10-5-11(7-12(6-10)16(18)19)15-13-4-2-3-9(13)8-17/h5-7,9,13-15,17H,2-4,8H2,1H3
InChIKeySEAIPZRFMISJLC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds5

About [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol

[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol (PubChem CID 106368067) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
PubChem CID106368067
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
SMILESCNc1cc(NC2CCCC2CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-14-10-5-11(7-12(6-10)16(18)19)15-13-4-2-3-9(13)8-17/h5-7,9,13-15,17H,2-4,8H2,1H3
InChIKeySEAIPZRFMISJLC-UHFFFAOYSA-N
XLogP2.21
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
CID 106368183
[2-(3-nitroanilino)cyclopentyl]methanol
CID 103703697
3-[[2-(2-hydroxyethyl)cyclopentyl]amino]-5-nitrobenzenesulfonamide
CID 133496467
3-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80786350
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106368323
3-N-(4-ethylcyclohexyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80803315
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
1-N-methyl-5-nitro-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
CID 80847982
4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362103
N-[2-(aminomethyl)cyclohexyl]-3-ethoxy-5-nitroaniline
CID 80744511

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol?
The IUPAC name of [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol (CID 106368067) is [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol.
What is the SMILES notation for [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol?
The canonical SMILES for [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol is CNc1cc(NC2CCCC2CO)cc([N+](=O)[O-])c1.
What is the InChIKey of [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol?
The InChIKey is SEAIPZRFMISJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-10-5-11(7-12(6-10)16(18)19)15-13-4-2-3-9(13)8-17/h5-7,9,13-15,17H,2-4,8H2,1H3.
What are the key properties of [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol?
[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol is sourced from PubChem (CID 106368067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).