10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane

C17H27N3 — CID 64872357

IUPAC10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1Cc1cccnc1
InChIInChI=1S/C17H27N3/c1-15-7-11-19-17(8-3-2-4-9-17)14-20(15)13-16-6-5-10-18-12-16/h5-6,10,12,15,19H,2-4,7-9,11,13-14H2,1H3
InChIKeyMSZPBIKJCCYDEK-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.97
Rot. Bonds2

About 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane

10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64872357) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64872357
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1Cc1cccnc1
InChIInChI=1S/C17H27N3/c1-15-7-11-19-17(8-3-2-4-9-17)14-20(15)13-16-6-5-10-18-12-16/h5-6,10,12,15,19H,2-4,7-9,11,13-14H2,1H3
InChIKeyMSZPBIKJCCYDEK-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane (CID 64872357) is 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane is CC1CCNC2(CCCCC2)CN1Cc1cccnc1.
What is the InChIKey of 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is MSZPBIKJCCYDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-7-11-19-17(8-3-2-4-9-17)14-20(15)13-16-6-5-10-18-12-16/h5-6,10,12,15,19H,2-4,7-9,11,13-14H2,1H3.
What are the key properties of 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 273.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64872357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).