2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane

C14H20N2 — CID 117028701

IUPAC2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
SMILESCc1cccc(N2CCC3(CCNC3)C2)c1
InChIInChI=1S/C14H20N2/c1-12-3-2-4-13(9-12)16-8-6-14(11-16)5-7-15-10-14/h2-4,9,15H,5-8,10-11H2,1H3
InChIKeyOPTJUEYEAMSCHP-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.18
Rot. Bonds1

About 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane

2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 117028701) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
PubChem CID117028701
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
SMILESCc1cccc(N2CCC3(CCNC3)C2)c1
InChIInChI=1S/C14H20N2/c1-12-3-2-4-13(9-12)16-8-6-14(11-16)5-7-15-10-14/h2-4,9,15H,5-8,10-11H2,1H3
InChIKeyOPTJUEYEAMSCHP-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
CID 117028734
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028706
2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
CID 82537950
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde
CID 171103032
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
CID 63142322
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane (CID 117028701) is 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane is Cc1cccc(N2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is OPTJUEYEAMSCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12-3-2-4-13(9-12)16-8-6-14(11-16)5-7-15-10-14/h2-4,9,15H,5-8,10-11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane?
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 216.33 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 117028701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).