[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol

C15H23N3O3 — CID 80802785

IUPAC[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
SMILESCCCNc1cc(NC2(CO)CCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-7-16-12-8-13(10-14(9-12)18(20)21)17-15(11-19)5-3-4-6-15/h8-10,16-17,19H,2-7,11H2,1H3
InChIKeyLLGQYTLMNKJRCK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.13
Rot. Bonds7

About [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol

[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol (PubChem CID 80802785) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
PubChem CID80802785
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
SMILESCCCNc1cc(NC2(CO)CCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-7-16-12-8-13(10-14(9-12)18(20)21)17-15(11-19)5-3-4-6-15/h8-10,16-17,19H,2-7,11H2,1H3
InChIKeyLLGQYTLMNKJRCK-UHFFFAOYSA-N
XLogP3.13
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.13
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-(ethylamino)-5-nitroanilino]oxan-4-yl]methanol
CID 106301187
2-[3-nitro-5-(propylamino)anilino]ethanol
CID 80766320
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
5-nitro-1-N-propyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
CID 80834967
2-ethyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80803479
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
3-N-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
N-[2-[3-nitro-5-(propylamino)anilino]ethyl]acetamide
CID 80788354
[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol
CID 103828751
2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol
CID 80832379
[4-methyl-1-(3-methyl-5-nitroanilino)cyclohexyl]methanol
CID 115981349
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062

Frequently Asked Questions

What is the IUPAC name of [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol?
The IUPAC name of [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol (CID 80802785) is [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol.
What is the SMILES notation for [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol?
The canonical SMILES for [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol is CCCNc1cc(NC2(CO)CCCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol?
The InChIKey is LLGQYTLMNKJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-7-16-12-8-13(10-14(9-12)18(20)21)17-15(11-19)5-3-4-6-15/h8-10,16-17,19H,2-7,11H2,1H3.
What are the key properties of [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol?
[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol has a molecular weight of 293.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol is sourced from PubChem (CID 80802785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).