3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane

C17H26N2 — CID 117028752

IUPAC3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(C)c(N2CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C17H26N2/c1-14-3-4-15(2)16(13-14)19-11-7-17(8-12-19)5-9-18-10-6-17/h3-4,13,18H,5-12H2,1-2H3
InChIKeyDAEGRFDSNFWEJO-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane

3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 117028752) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID117028752
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(C)c(N2CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C17H26N2/c1-14-3-4-15(2)16(13-14)19-11-7-17(8-12-19)5-9-18-10-6-17/h3-4,13,18H,5-12H2,1-2H3
InChIKeyDAEGRFDSNFWEJO-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 170254534
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
2-[3-(2,5-dimethylphenyl)-3-azaspiro[5.5]undecan-9-yl]acetaldehyde
CID 139379237
1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
CID 143566862
7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 170250864
[1-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
CID 117011771
6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
CID 166801108
3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane
CID 117028760
5-(2,5-dimethylphenyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117014341
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
2-[1-(2,5-dimethylphenyl)piperidin-4-ylidene]acetic acid
CID 82294751

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane (CID 117028752) is 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(C)c(N2CCC3(CCNCC3)CC2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is DAEGRFDSNFWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-3-4-15(2)16(13-14)19-11-7-17(8-12-19)5-9-18-10-6-17/h3-4,13,18H,5-12H2,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane?
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 117028752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).