7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane

C17H26N2 — CID 167015494

IUPAC7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCc1ccc(C)c(N2CCC3(CC2)CN(C)C3)c1
InChIInChI=1S/C17H26N2/c1-4-15-6-5-14(2)16(11-15)19-9-7-17(8-10-19)12-18(3)13-17/h5-6,11H,4,7-10,12-13H2,1-3H3
InChIKeyNADFFHGUUZYZBF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.09
Rot. Bonds2

About 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane

7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 167015494) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID167015494
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCc1ccc(C)c(N2CCC3(CC2)CN(C)C3)c1
InChIInChI=1S/C17H26N2/c1-4-15-6-5-14(2)16(11-15)19-9-7-17(8-10-19)12-18(3)13-17/h5-6,11H,4,7-10,12-13H2,1-3H3
InChIKeyNADFFHGUUZYZBF-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane (CID 167015494) is 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane is CCc1ccc(C)c(N2CCC3(CC2)CN(C)C3)c1.
What is the InChIKey of 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is NADFFHGUUZYZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-15-6-5-14(2)16(11-15)19-9-7-17(8-10-19)12-18(3)13-17/h5-6,11H,4,7-10,12-13H2,1-3H3.
What are the key properties of 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 258.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 167015494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).