3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane

C17H27N3 — CID 64947932

IUPAC3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CC3(CCCCC3)NCC2C)n1
InChIInChI=1S/C17H27N3/c1-14-7-6-8-16(19-14)12-20-13-17(18-11-15(20)2)9-4-3-5-10-17/h6-8,15,18H,3-5,9-13H2,1-2H3
InChIKeyKNMOZJBWBJHPRT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.89
Rot. Bonds2

About 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane

3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64947932) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64947932
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CC3(CCCCC3)NCC2C)n1
InChIInChI=1S/C17H27N3/c1-14-7-6-8-16(19-14)12-20-13-17(18-11-15(20)2)9-4-3-5-10-17/h6-8,15,18H,3-5,9-13H2,1-2H3
InChIKeyKNMOZJBWBJHPRT-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946365
2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64948404
3-methyl-4-[(2-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64877988
8-methyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871467
4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64876835
3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79263914
4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
CID 64945713
9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877544
8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 79263913
8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946171
8-methyl-9-(thiophen-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876781
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 64947937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 64947932) is 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is Cc1cccc(CN2CC3(CCCCC3)NCC2C)n1.
What is the InChIKey of 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is KNMOZJBWBJHPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-7-6-8-16(19-14)12-20-13-17(18-11-15(20)2)9-4-3-5-10-17/h6-8,15,18H,3-5,9-13H2,1-2H3.
What are the key properties of 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 273.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64947932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).