1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane

C29H44N6 — CID 67481835

IUPAC1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane
SMILESCN1CCCCC12CCCN(c1cccnc1)C2.c1cncc(N2CCCC3(CCCCN3)C2)c1
InChIInChI=1S/C15H23N3.C14H21N3/c1-17-10-3-2-7-15(17)8-5-11-18(13-15)14-6-4-9-16-12-14;1-2-9-16-14(6-1)7-4-10-17(12-14)13-5-3-8-15-11-13/h4,6,9,12H,2-3,5,7-8,10-11,13H2,1H3;3,5,8,11,16H,1-2,4,6-7,9-10,12H2
InChIKeyKMCUQIDTLPJPLM-UHFFFAOYSA-N
MW476.71 g/mol
LogP4.73
Rot. Bonds2

About 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane

1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane (PubChem CID 67481835) has the molecular formula C29H44N6 and a molecular weight of 476.71 g/mol. Its IUPAC name is 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane
PubChem CID67481835
Molecular FormulaC29H44N6
Molecular Weight476.71 g/mol
Exact Mass476.36
IUPAC Name1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane
SMILESCN1CCCCC12CCCN(c1cccnc1)C2.c1cncc(N2CCCC3(CCCCN3)C2)c1
InChIInChI=1S/C15H23N3.C14H21N3/c1-17-10-3-2-7-15(17)8-5-11-18(13-15)14-6-4-9-16-12-14;1-2-9-16-14(6-1)7-4-10-17(12-14)13-5-3-8-15-11-13/h4,6,9,12H,2-3,5,7-8,10-11,13H2,1H3;3,5,8,11,16H,1-2,4,6-7,9-10,12H2
InChIKeyKMCUQIDTLPJPLM-UHFFFAOYSA-N
XLogP4.73
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.71
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

11-pyridin-3-yl-7,11-diazaspiro[5.6]dodecane
CID 64941322
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
CID 22291216
3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane
CID 64941326
11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
CID 64951580
3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
CID 64920015
6,6-dimethyl-1-pyridin-3-yl-1,4-diazepane
CID 115100787
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
CID 11601092
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
CID 64943004

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane (CID 67481835) is 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane is CN1CCCCC12CCCN(c1cccnc1)C2.c1cncc(N2CCCC3(CCCCN3)C2)c1.
What is the InChIKey of 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane?
The InChIKey is KMCUQIDTLPJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.C14H21N3/c1-17-10-3-2-7-15(17)8-5-11-18(13-15)14-6-4-9-16-12-14;1-2-9-16-14(6-1)7-4-10-17(12-14)13-5-3-8-15-11-13/h4,6,9,12H,2-3,5,7-8,10-11,13H2,1H3;3,5,8,11,16H,1-2,4,6-7,9-10,12H2.
What are the key properties of 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane?
1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane has a molecular weight of 476.71 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 67481835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).