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

C18H29N3 — CID 79263914

IUPAC3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CC3(CCCCC3)NCC2(C)C)n1
InChIInChI=1S/C18H29N3/c1-15-8-7-9-16(20-15)12-21-14-18(10-5-4-6-11-18)19-13-17(21,2)3/h7-9,19H,4-6,10-14H2,1-3H3
InChIKeyDLPVBPBUYSOUIT-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.28
Rot. Bonds2

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

3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 79263914) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID79263914
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CC3(CCCCC3)NCC2(C)C)n1
InChIInChI=1S/C18H29N3/c1-15-8-7-9-16(20-15)12-21-14-18(10-5-4-6-11-18)19-13-17(21,2)3/h7-9,19H,4-6,10-14H2,1-3H3
InChIKeyDLPVBPBUYSOUIT-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 79263914) is 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is Cc1cccc(CN2CC3(CCCCC3)NCC2(C)C)n1.
What is the InChIKey of 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is DLPVBPBUYSOUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-8-7-9-16(20-15)12-21-14-18(10-5-4-6-11-18)19-13-17(21,2)3/h7-9,19H,4-6,10-14H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 287.45 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 79263914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).