3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine

C17H22N2O2 — CID 79908184

IUPAC3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine
SMILESNCC#Cc1cncc(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H22N2O2/c18-8-3-4-14-10-16(13-19-12-14)21-15-5-9-20-17(11-15)6-1-2-7-17/h10,12-13,15H,1-2,5-9,11,18H2
InChIKeyKROAEQSCGVYXIE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds2

About 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine

3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine (PubChem CID 79908184) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine
PubChem CID79908184
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine
SMILESNCC#Cc1cncc(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H22N2O2/c18-8-3-4-14-10-16(13-19-12-14)21-15-5-9-20-17(11-15)6-1-2-7-17/h10,12-13,15H,1-2,5-9,11,18H2
InChIKeyKROAEQSCGVYXIE-UHFFFAOYSA-N
XLogP2.26
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
CID 81314759
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 81313648
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
2-[5-(1-oxaspiro[5.5]undecan-4-yloxy)-2-pyridinyl]ethanamine
CID 79908457
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
3-(3-chloroprop-1-ynyl)-5-cycloheptyloxypyridine
CID 82923291
2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine
CID 79894085
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine (CID 79908184) is 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine is NCC#Cc1cncc(OC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine?
The InChIKey is KROAEQSCGVYXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-8-3-4-14-10-16(13-19-12-14)21-15-5-9-20-17(11-15)6-1-2-7-17/h10,12-13,15H,1-2,5-9,11,18H2.
What are the key properties of 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine?
3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine is sourced from PubChem (CID 79908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).