2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C17H27ClN2 — CID 120906566

IUPAC2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCc1cccc(CN2CCC3(CCNCC3)C2)c1C.Cl
InChIInChI=1S/C17H26N2.ClH/c1-14-4-3-5-16(15(14)2)12-19-11-8-17(13-19)6-9-18-10-7-17;/h3-5,18H,6-13H2,1-2H3;1H
InChIKeyIJRWWGCYGIVWCY-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.30
Rot. Bonds2

About 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906566) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906566
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCc1cccc(CN2CCC3(CCNCC3)C2)c1C.Cl
InChIInChI=1S/C17H26N2.ClH/c1-14-4-3-5-16(15(14)2)12-19-11-8-17(13-19)6-9-18-10-7-17;/h3-5,18H,6-13H2,1-2H3;1H
InChIKeyIJRWWGCYGIVWCY-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452
2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906603
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 68969342
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride
CID 154910251
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906566) is 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cc1cccc(CN2CCC3(CCNCC3)C2)c1C.Cl.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is IJRWWGCYGIVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.ClH/c1-14-4-3-5-16(15(14)2)12-19-11-8-17(13-19)6-9-18-10-7-17;/h3-5,18H,6-13H2,1-2H3;1H.
What are the key properties of 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 294.87 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).