2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol

C15H23N3O3 — CID 80832379

IUPAC2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol
SMILESCCCNc1cc(NCC2CCCC2O)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-6-16-12-7-13(9-14(8-12)18(20)21)17-10-11-4-3-5-15(11)19/h7-9,11,15-17,19H,2-6,10H2,1H3
InChIKeyAHAAXTJXQRLFMT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.99
Rot. Bonds7

About 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol

2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol (PubChem CID 80832379) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol
PubChem CID80832379
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol
SMILESCCCNc1cc(NCC2CCCC2O)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-6-16-12-7-13(9-14(8-12)18(20)21)17-10-11-4-3-5-15(11)19/h7-9,11,15-17,19H,2-6,10H2,1H3
InChIKeyAHAAXTJXQRLFMT-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
3-N-[(3-methylcyclopentyl)methyl]-5-nitro-1-N-propylbenzene-1,3-diamine
CID 107415830
5-nitro-3-N-(oxolan-2-ylmethyl)-1-N-propylbenzene-1,3-diamine
CID 80772498
2-[3-nitro-5-(propylamino)anilino]ethanol
CID 80766320
2-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 103828663
N-[2-[3-nitro-5-(propylamino)anilino]ethyl]acetamide
CID 80788354
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
3-N-(3-methylcyclopentyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 114542063
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526
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-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
CID 80802785

Frequently Asked Questions

What is the IUPAC name of 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol (CID 80832379) is 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol is CCCNc1cc(NCC2CCCC2O)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol?
The InChIKey is AHAAXTJXQRLFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-6-16-12-7-13(9-14(8-12)18(20)21)17-10-11-4-3-5-15(11)19/h7-9,11,15-17,19H,2-6,10H2,1H3.
What are the key properties of 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol?
2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80832379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).