8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C20H31N3O — CID 118746461

IUPAC8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(CC3CC3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C20H31N3O/c1-24-15-19-12-20(7-10-22(11-8-20)13-17-5-6-17)16-23(19)14-18-4-2-3-9-21-18/h2-4,9,17,19H,5-8,10-16H2,1H3
InChIKeyOTYDVEJMMPOVOX-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.79
Rot. Bonds6

About 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 118746461) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID118746461
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(CC3CC3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C20H31N3O/c1-24-15-19-12-20(7-10-22(11-8-20)13-17-5-6-17)16-23(19)14-18-4-2-3-9-21-18/h2-4,9,17,19H,5-8,10-16H2,1H3
InChIKeyOTYDVEJMMPOVOX-UHFFFAOYSA-N
XLogP2.79
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 118746461) is 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(CC3CC3)CC2)CN1Cc1ccccn1.
What is the InChIKey of 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is OTYDVEJMMPOVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-24-15-19-12-20(7-10-22(11-8-20)13-17-5-6-17)16-23(19)14-18-4-2-3-9-21-18/h2-4,9,17,19H,5-8,10-16H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 329.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118746461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).