8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane

C16H25N3 — CID 64877587

IUPAC8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1Cc1cccnc1
InChIInChI=1S/C16H25N3/c1-15(2)12-18-16(7-3-4-8-16)13-19(15)11-14-6-5-9-17-10-14/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyPBDPKGALKDFKFM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds2

About 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane

8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64877587) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64877587
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1Cc1cccnc1
InChIInChI=1S/C16H25N3/c1-15(2)12-18-16(7-3-4-8-16)13-19(15)11-14-6-5-9-17-10-14/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyPBDPKGALKDFKFM-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875900
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
8,8-diethyl-6-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64860083
3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79263914
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871949
4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875519
3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64875517
2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 117014799
[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
CID 117019703
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64877587) is 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane is CC1(C)CNC2(CCCC2)CN1Cc1cccnc1.
What is the InChIKey of 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is PBDPKGALKDFKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-15(2)12-18-16(7-3-4-8-16)13-19(15)11-14-6-5-9-17-10-14/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 259.40 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).