3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol

C15H23N3O3 — CID 102875541

IUPAC3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol
SMILESCCNc1cc(N(CCCO)C2CCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-16-12-9-14(11-15(10-12)18(20)21)17(7-4-8-19)13-5-3-6-13/h9-11,13,16,19H,2-8H2,1H3
InChIKeyMZHQLYJFQNCYPL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.77
Rot. Bonds8

About 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol

3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol (PubChem CID 102875541) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol
PubChem CID102875541
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol
SMILESCCNc1cc(N(CCCO)C2CCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-16-12-9-14(11-15(10-12)18(20)21)17(7-4-8-19)13-5-3-6-13/h9-11,13,16,19H,2-8H2,1H3
InChIKeyMZHQLYJFQNCYPL-UHFFFAOYSA-N
XLogP2.77
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
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-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
CID 102869080
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455
2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol
CID 102875578
6-[3-(ethylamino)-5-nitroanilino]hexan-1-ol
CID 107855192
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231
N-butyl-N-cyclopropyl-3-fluoro-5-nitroaniline
CID 80751849
3-(N-cyclobutyl-2-fluoro-4-nitroanilino)propan-1-ol
CID 102846778
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
3-N-[3-(diethylamino)propyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80772638
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754
3-N-cyclopentyl-3-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80782218

Frequently Asked Questions

What is the IUPAC name of 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol?
The IUPAC name of 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol (CID 102875541) is 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol.
What is the SMILES notation for 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol?
The canonical SMILES for 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol is CCNc1cc(N(CCCO)C2CCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol?
The InChIKey is MZHQLYJFQNCYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-16-12-9-14(11-15(10-12)18(20)21)17(7-4-8-19)13-5-3-6-13/h9-11,13,16,19H,2-8H2,1H3.
What are the key properties of 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol?
3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol is sourced from PubChem (CID 102875541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).