N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine

C15H21N3O2 — CID 62738604

IUPACN-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O2/c1-2-16-11-8-13-6-7-14(9-11)17(13)12-4-3-5-15(10-12)18(19)20/h3-5,10-11,13-14,16H,2,6-9H2,1H3
InChIKeyWHEAYUWONLDWQB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.70
Rot. Bonds4

About N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738604) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738604
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O2/c1-2-16-11-8-13-6-7-14(9-11)17(13)12-4-3-5-15(10-12)18(19)20/h3-5,10-11,13-14,16H,2,6-9H2,1H3
InChIKeyWHEAYUWONLDWQB-UHFFFAOYSA-N
XLogP2.70
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
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

N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740321
8-(4-nitrophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739121
3-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712716
8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
9-(3-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712878
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80818737
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107579254
N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739107
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
N-methyl-1-[1-(3-nitrophenyl)piperidin-4-yl]methanamine
CID 63249523
8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739526
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62738604) is N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WHEAYUWONLDWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-11-8-13-6-7-14(9-11)17(13)12-4-3-5-15(10-12)18(19)20/h3-5,10-11,13-14,16H,2,6-9H2,1H3.
What are the key properties of N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 275.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).