2-(3-nitrophenyl)spiro[3.5]nonan-2-amine

C15H20N2O2 — CID 103194032

IUPAC2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
SMILESNC1(c2cccc([N+](=O)[O-])c2)CC2(CCCCC2)C1
InChIInChI=1S/C15H20N2O2/c16-15(10-14(11-15)7-2-1-3-8-14)12-5-4-6-13(9-12)17(18)19/h4-6,9H,1-3,7-8,10-11,16H2
InChIKeyQQYOUYZLYNJEJF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine

2-(3-nitrophenyl)spiro[3.5]nonan-2-amine (PubChem CID 103194032) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
PubChem CID103194032
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
SMILESNC1(c2cccc([N+](=O)[O-])c2)CC2(CCCCC2)C1
InChIInChI=1S/C15H20N2O2/c16-15(10-14(11-15)7-2-1-3-8-14)12-5-4-6-13(9-12)17(18)19/h4-6,9H,1-3,7-8,10-11,16H2
InChIKeyQQYOUYZLYNJEJF-UHFFFAOYSA-N
XLogP3.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-nitrophenyl)spiro[3.6]decan-2-amine
CID 103194041
2-(3-nitrophenyl)spiro[3.4]octan-2-amine
CID 103194024
5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane
CID 178119267
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
(3R)-3-(3-nitrophenyl)-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane
CID 166442987
cyclopropane;3-nitroaniline
CID 175468087
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
2-(4-nitrophenyl)spiro[3.6]decane-2-carbonitrile
CID 103193771
N-[[5-(3-nitrophenyl)spiro[2.3]hexane-5-carbonyl]amino]formamide
CID 171753175
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine?
The IUPAC name of 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine (CID 103194032) is 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine.
What is the SMILES notation for 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine?
The canonical SMILES for 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine is NC1(c2cccc([N+](=O)[O-])c2)CC2(CCCCC2)C1.
What is the InChIKey of 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine?
The InChIKey is QQYOUYZLYNJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-15(10-14(11-15)7-2-1-3-8-14)12-5-4-6-13(9-12)17(18)19/h4-6,9H,1-3,7-8,10-11,16H2.
What are the key properties of 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine?
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)spiro[3.5]nonan-2-amine is sourced from PubChem (CID 103194032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).