[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol

C13H19N3O3 — CID 80832784

IUPAC[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
SMILESCNc1cccc(NC2(CO)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-14-10-5-4-6-11(12(10)16(18)19)15-13(9-17)7-2-3-8-13/h4-6,14-15,17H,2-3,7-9H2,1H3
InChIKeyDEIKFBBWTIYZHR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.35
Rot. Bonds5

About [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol

[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol (PubChem CID 80832784) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
PubChem CID80832784
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
SMILESCNc1cccc(NC2(CO)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-14-10-5-4-6-11(12(10)16(18)19)15-13(9-17)7-2-3-8-13/h4-6,14-15,17H,2-3,7-9H2,1H3
InChIKeyDEIKFBBWTIYZHR-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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

[4-[3-(methylamino)-2-nitroanilino]oxan-4-yl]methanol
CID 106301126
[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
CID 80833202
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
CID 62519209
2-[3-(methylamino)-2-nitroanilino]propane-1,3-diol
CID 80842073
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol
CID 62518867
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
3-N-benzyl-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80784770
[1-(3-amino-2-methylanilino)cyclopentyl]methanol
CID 63062925
5-[3-(methylamino)-2-nitroanilino]pentan-1-ol
CID 107324203
3-methyl-2-[3-(methylamino)-2-nitroanilino]butan-1-ol
CID 80848426
[4-methyl-1-(2-methyl-3-nitroanilino)cyclohexyl]methanol
CID 63077609

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol?
The IUPAC name of [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol (CID 80832784) is [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol.
What is the SMILES notation for [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol?
The canonical SMILES for [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol is CNc1cccc(NC2(CO)CCCC2)c1[N+](=O)[O-].
What is the InChIKey of [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol?
The InChIKey is DEIKFBBWTIYZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-10-5-4-6-11(12(10)16(18)19)15-13(9-17)7-2-3-8-13/h4-6,14-15,17H,2-3,7-9H2,1H3.
What are the key properties of [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol?
[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol is sourced from PubChem (CID 80832784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).