N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H20N4O2 — CID 61232521

IUPACN-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1ncccc1[N+](=O)[O-])C1CC2CCC(C1)N2
InChIInChI=1S/C14H20N4O2/c1-2-17(12-8-10-5-6-11(9-12)16-10)14-13(18(19)20)4-3-7-15-14/h3-4,7,10-12,16H,2,5-6,8-9H2,1H3
InChIKeyUPVUKRBBECIHBW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds4

About N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232521) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232521
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1ncccc1[N+](=O)[O-])C1CC2CCC(C1)N2
InChIInChI=1S/C14H20N4O2/c1-2-17(12-8-10-5-6-11(9-12)16-10)14-13(18(19)20)4-3-7-15-14/h3-4,7,10-12,16H,2,5-6,8-9H2,1H3
InChIKeyUPVUKRBBECIHBW-UHFFFAOYSA-N
XLogP2.10
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232892
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylfuro[3,2-c]pyridin-4-amine
CID 106535244
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
CID 61232537
N-methyl-N-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62252991
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
4-N-methyl-4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 79115640
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
N-ethyl-N-(3-nitro-2-pyridinyl)propanamide
CID 155572515

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61232521) is N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(c1ncccc1[N+](=O)[O-])C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UPVUKRBBECIHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-17(12-8-10-5-6-11(9-12)16-10)14-13(18(19)20)4-3-7-15-14/h3-4,7,10-12,16H,2,5-6,8-9H2,1H3.
What are the key properties of N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).