2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine

C13H19N3 — CID 105167884

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
SMILESNC(CC1CC2CCC1C2)c1ccnnc1
InChIInChI=1S/C13H19N3/c14-13(11-3-4-15-16-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7,14H2
InChIKeyHHZCZGXKNWZTSW-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine (PubChem CID 105167884) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
PubChem CID105167884
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
SMILESNC(CC1CC2CCC1C2)c1ccnnc1
InChIInChI=1S/C13H19N3/c14-13(11-3-4-15-16-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7,14H2
InChIKeyHHZCZGXKNWZTSW-UHFFFAOYSA-N
XLogP2.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105027565
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 112727149
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032228
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 43297160
[2-(2-bicyclo[2.2.1]heptanyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196324
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine (CID 105167884) is 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine is NC(CC1CC2CCC1C2)c1ccnnc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine?
The InChIKey is HHZCZGXKNWZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-13(11-3-4-15-16-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7,14H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine is sourced from PubChem (CID 105167884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).