7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane

C17H26N2 — CID 163218649

IUPAC7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane
SMILESCc1ccc(C2CCC3(CC2)CNC3)nc1C(C)C
InChIInChI=1S/C17H26N2/c1-12(2)16-13(3)4-5-15(19-16)14-6-8-17(9-7-14)10-18-11-17/h4-5,12,14,18H,6-11H2,1-3H3
InChIKeyVEHBJMVLGYYHCN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.76
Rot. Bonds2

About 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane

7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane (PubChem CID 163218649) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane
PubChem CID163218649
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane
SMILESCc1ccc(C2CCC3(CC2)CNC3)nc1C(C)C
InChIInChI=1S/C17H26N2/c1-12(2)16-13(3)4-5-15(19-16)14-6-8-17(9-7-14)10-18-11-17/h4-5,12,14,18H,6-11H2,1-3H3
InChIKeyVEHBJMVLGYYHCN-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane (CID 163218649) is 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane is Cc1ccc(C2CCC3(CC2)CNC3)nc1C(C)C.
What is the InChIKey of 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane?
The InChIKey is VEHBJMVLGYYHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)16-13(3)4-5-15(19-16)14-6-8-17(9-7-14)10-18-11-17/h4-5,12,14,18H,6-11H2,1-3H3.
What are the key properties of 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane?
7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane has a molecular weight of 258.41 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 163218649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).