8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol

C16H24N2O — CID 114819310

IUPAC8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol
SMILESNc1ccncc1CC1(O)CCC2(CCCC2)CC1
InChIInChI=1S/C16H24N2O/c17-14-3-10-18-12-13(14)11-16(19)8-6-15(7-9-16)4-1-2-5-15/h3,10,12,19H,1-2,4-9,11H2,(H2,17,18)
InChIKeyKRHSWVALXXSQIV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.07
Rot. Bonds2

About 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol

8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol (PubChem CID 114819310) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol
PubChem CID114819310
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol
SMILESNc1ccncc1CC1(O)CCC2(CCCC2)CC1
InChIInChI=1S/C16H24N2O/c17-14-3-10-18-12-13(14)11-16(19)8-6-15(7-9-16)4-1-2-5-15/h3,10,12,19H,1-2,4-9,11H2,(H2,17,18)
InChIKeyKRHSWVALXXSQIV-UHFFFAOYSA-N
XLogP3.07
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol?
The IUPAC name of 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol (CID 114819310) is 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol?
The canonical SMILES for 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol is Nc1ccncc1CC1(O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol?
The InChIKey is KRHSWVALXXSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-14-3-10-18-12-13(14)11-16(19)8-6-15(7-9-16)4-1-2-5-15/h3,10,12,19H,1-2,4-9,11H2,(H2,17,18).
What are the key properties of 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol?
8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol has a molecular weight of 260.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).