3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol

C13H19N3O3 — CID 106138042

IUPAC3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol
SMILESCNc1cc(NCC2CCC(O)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-14-10-5-11(7-12(6-10)16(18)19)15-8-9-2-3-13(17)4-9/h5-7,9,13-15,17H,2-4,8H2,1H3
InChIKeyPLADDOGGPLAHOA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds5

About 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol

3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol (PubChem CID 106138042) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol
PubChem CID106138042
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol
SMILESCNc1cc(NCC2CCC(O)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-14-10-5-11(7-12(6-10)16(18)19)15-8-9-2-3-13(17)4-9/h5-7,9,13-15,17H,2-4,8H2,1H3
InChIKeyPLADDOGGPLAHOA-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

3-N-[(3-methylcyclopentyl)methyl]-5-nitro-1-N-propylbenzene-1,3-diamine
CID 107415830
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
3-[(3-iodo-4-nitroanilino)methyl]cyclopentan-1-ol
CID 103269757
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
3-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103269696
3-N-(4-ethylcyclohexyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80803315
3-N-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80778168
2-methyl-1-[3-(methylamino)-5-nitroanilino]propan-2-ol
CID 80840452
3-fluoro-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 55224773
3-(cyclopropylmethoxy)-N-methyl-5-nitroaniline
CID 80867585
4-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130583

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol (CID 106138042) is 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol is CNc1cc(NCC2CCC(O)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol?
The InChIKey is PLADDOGGPLAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-10-5-11(7-12(6-10)16(18)19)15-8-9-2-3-13(17)4-9/h5-7,9,13-15,17H,2-4,8H2,1H3.
What are the key properties of 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol?
3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol 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 3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).