6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride

C19H25ClN4O — CID 171687499

IUPAC6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
SMILESCl.c1ccc(Nc2cccc(CC3COC4(CCNCC4)C3)n2)nc1
InChIInChI=1S/C19H24N4O.ClH/c1-2-9-21-17(5-1)23-18-6-3-4-16(22-18)12-15-13-19(24-14-15)7-10-20-11-8-19;/h1-6,9,15,20H,7-8,10-14H2,(H,21,22,23);1H
InChIKeyBHRIMGONHKWFGO-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.34
Rot. Bonds4

About 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride

6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride (PubChem CID 171687499) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
PubChem CID171687499
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
SMILESCl.c1ccc(Nc2cccc(CC3COC4(CCNCC4)C3)n2)nc1
InChIInChI=1S/C19H24N4O.ClH/c1-2-9-21-17(5-1)23-18-6-3-4-16(22-18)12-15-13-19(24-14-15)7-10-20-11-8-19;/h1-6,9,15,20H,7-8,10-14H2,(H,21,22,23);1H
InChIKeyBHRIMGONHKWFGO-UHFFFAOYSA-N
XLogP3.34
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride (CID 171687499) is 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride is Cl.c1ccc(Nc2cccc(CC3COC4(CCNCC4)C3)n2)nc1.
What is the InChIKey of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is BHRIMGONHKWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-2-9-21-17(5-1)23-18-6-3-4-16(22-18)12-15-13-19(24-14-15)7-10-20-11-8-19;/h1-6,9,15,20H,7-8,10-14H2,(H,21,22,23);1H.
What are the key properties of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 171687499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).