2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine

C17H26N2O — CID 105027565

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
SMILESCC(C)Oc1cncc(C(N)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H26N2O/c1-11(2)20-16-7-15(9-19-10-16)17(18)8-14-6-12-3-4-13(14)5-12/h7,9-14,17H,3-6,8,18H2,1-2H3
InChIKeyUCXUZYBMFFKPDQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine (PubChem CID 105027565) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
PubChem CID105027565
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
SMILESCC(C)Oc1cncc(C(N)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H26N2O/c1-11(2)20-16-7-15(9-19-10-16)17(18)8-14-6-12-3-4-13(14)5-12/h7,9-14,17H,3-6,8,18H2,1-2H3
InChIKeyUCXUZYBMFFKPDQ-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
3-cyclopentyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105027507
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
(2,2-dimethylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107190563
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethoxyphenyl)ethyl]hydrazine
CID 105323624
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032228

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine (CID 105027565) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine is CC(C)Oc1cncc(C(N)CC2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The InChIKey is UCXUZYBMFFKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)20-16-7-15(9-19-10-16)17(18)8-14-6-12-3-4-13(14)5-12/h7,9-14,17H,3-6,8,18H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.69, 5 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-(5-propan-2-yloxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105027565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).