1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine

C13H19N3O2 — CID 106738241

IUPAC1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C13H19N3O2/c14-9-12(10-5-1-2-6-10)15-11-7-3-4-8-13(11)16(17)18/h3-4,7-8,10,12,15H,1-2,5-6,9,14H2
InChIKeyNFTWPQLWZHIBOR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.52
Rot. Bonds5

About 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine

1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine (PubChem CID 106738241) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
PubChem CID106738241
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C13H19N3O2/c14-9-12(10-5-1-2-6-10)15-11-7-3-4-8-13(11)16(17)18/h3-4,7-8,10,12,15H,1-2,5-6,9,14H2
InChIKeyNFTWPQLWZHIBOR-UHFFFAOYSA-N
XLogP2.52
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
CID 113316435
2-[(2-amino-1-cyclopentylethyl)amino]-5-nitrobenzonitrile
CID 106738095
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
5-[(2-amino-1-cyclopentylethyl)amino]-2-nitrobenzonitrile
CID 106738094
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
CID 106738349
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-cyclohexylethane-1,2-diamine
CID 115309612
N-[cyclopentyl(thiophen-2-yl)methyl]-2-nitroaniline
CID 43785516

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine (CID 106738241) is 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is NFTWPQLWZHIBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-12(10-5-1-2-6-10)15-11-7-3-4-8-13(11)16(17)18/h3-4,7-8,10,12,15H,1-2,5-6,9,14H2.
What are the key properties of 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine?
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 249.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 106738241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).