8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H25N5O — CID 118739622

IUPAC8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCn1ccnc1CN1CCC2(CC1)CC(Nc1ccccn1)CO2
InChIInChI=1S/C18H25N5O/c1-22-11-8-20-17(22)13-23-9-5-18(6-10-23)12-15(14-24-18)21-16-4-2-3-7-19-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,19,21)
InChIKeyQCGFHNJHSNQOQQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds4

About 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118739622) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118739622
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCn1ccnc1CN1CCC2(CC1)CC(Nc1ccccn1)CO2
InChIInChI=1S/C18H25N5O/c1-22-11-8-20-17(22)13-23-9-5-18(6-10-23)12-15(14-24-18)21-16-4-2-3-7-19-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,19,21)
InChIKeyQCGFHNJHSNQOQQ-UHFFFAOYSA-N
XLogP2.05
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118739622) is 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is Cn1ccnc1CN1CCC2(CC1)CC(Nc1ccccn1)CO2.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QCGFHNJHSNQOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-11-8-20-17(22)13-23-9-5-18(6-10-23)12-15(14-24-18)21-16-4-2-3-7-19-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,19,21).
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118739622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).