N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C22H32ClFN4 — CID 120845305

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCCn1ccnc1CN(CC(C)c1ccc(F)cc1)C1CC12CCNCC2.Cl
InChIInChI=1S/C22H31FN4.ClH/c1-3-26-13-12-25-21(26)16-27(20-14-22(20)8-10-24-11-9-22)15-17(2)18-4-6-19(23)7-5-18;/h4-7,12-13,17,20,24H,3,8-11,14-16H2,1-2H3;1H
InChIKeyDRTFODCPNLLGCJ-UHFFFAOYSA-N
MW406.98 g/mol
LogP4.21
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120845305) has the molecular formula C22H32ClFN4 and a molecular weight of 406.98 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID120845305
Molecular FormulaC22H32ClFN4
Molecular Weight406.98 g/mol
Exact Mass406.23
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCCn1ccnc1CN(CC(C)c1ccc(F)cc1)C1CC12CCNCC2.Cl
InChIInChI=1S/C22H31FN4.ClH/c1-3-26-13-12-25-21(26)16-27(20-14-22(20)8-10-24-11-9-22)15-17(2)18-4-6-19(23)7-5-18;/h4-7,12-13,17,20,24H,3,8-11,14-16H2,1-2H3;1H
InChIKeyDRTFODCPNLLGCJ-UHFFFAOYSA-N
XLogP4.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;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

N-[2-(2,2-difluoroethoxy)ethyl]-N-[(1-ethylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120967087
N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845311
N-[(1-ethylimidazol-2-yl)methyl]-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845313
methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
3-[[(2R)-6-azaspiro[2.5]octan-2-yl]-[(1-ethylimidazol-2-yl)methyl]amino]-N-methylpropane-1-sulfonamide
CID 129324449
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845295
N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 167822778
N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845310
N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 128995326
N-[(2,3-dichloro-4-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845220
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 128992326

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120845305) is N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is CCn1ccnc1CN(CC(C)c1ccc(F)cc1)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is DRTFODCPNLLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4.ClH/c1-3-26-13-12-25-21(26)16-27(20-14-22(20)8-10-24-11-9-22)15-17(2)18-4-6-19(23)7-5-18;/h4-7,12-13,17,20,24H,3,8-11,14-16H2,1-2H3;1H.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 406.98 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120845305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).