N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine

C15H20N2O2 — CID 58349732

IUPACN-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine
SMILESO=[N+]([O-])c1ccccc1NC1CC2CCCC(C2)C1
InChIInChI=1S/C15H20N2O2/c18-17(19)15-7-2-1-6-14(15)16-13-9-11-4-3-5-12(8-11)10-13/h1-2,6-7,11-13,16H,3-5,8-10H2
InChIKeyYYKFNRCREGYMEO-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.98
Rot. Bonds3

About N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine

N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine (PubChem CID 58349732) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine
PubChem CID58349732
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine
SMILESO=[N+]([O-])c1ccccc1NC1CC2CCCC(C2)C1
InChIInChI=1S/C15H20N2O2/c18-17(19)15-7-2-1-6-14(15)16-13-9-11-4-3-5-12(8-11)10-13/h1-2,6-7,11-13,16H,3-5,8-10H2
InChIKeyYYKFNRCREGYMEO-UHFFFAOYSA-N
XLogP3.98
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.98
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-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448138
(1S,5S)-9-[(1S,5R)-7-methyl-3-bicyclo[3.3.1]nonanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 125497952
N-(3-methylsulfanylcyclohexyl)-2-nitroaniline
CID 113237756
N-(3-methoxycyclobutyl)-2-nitroaniline
CID 104576705
N-(2-nitrophenyl)-1,1-dioxothian-4-amine
CID 43615402
N-(4-methoxycyclohexyl)-2-nitroaniline
CID 113414363
N-[3-(4-bromophenyl)cyclobutyl]-2-nitroaniline
CID 43718231
N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 43078427
CID 144564385
CID 144564385
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-nitroaniline
CID 43225012

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine (CID 58349732) is N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine is O=[N+]([O-])c1ccccc1NC1CC2CCCC(C2)C1.
What is the InChIKey of N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine?
The InChIKey is YYKFNRCREGYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-17(19)15-7-2-1-6-14(15)16-13-9-11-4-3-5-12(8-11)10-13/h1-2,6-7,11-13,16H,3-5,8-10H2.
What are the key properties of N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine?
N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine has a molecular weight of 260.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 58349732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).