N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C19H33ClN4O — CID 120845295

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCCn1ccnc1CN(CCC1CCOC1)C1CC12CCNCC2.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-2-22-11-9-21-18(22)14-23(10-3-16-4-12-24-15-16)17-13-19(17)5-7-20-8-6-19;/h9,11,16-17,20H,2-8,10,12-15H2,1H3;1H
InChIKeyRJFILBQVOWEMPA-UHFFFAOYSA-N
MW368.95 g/mol
LogP2.70
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120845295) has the molecular formula C19H33ClN4O and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID120845295
Molecular FormulaC19H33ClN4O
Molecular Weight368.95 g/mol
Exact Mass368.23
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCCn1ccnc1CN(CCC1CCOC1)C1CC12CCNCC2.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-2-22-11-9-21-18(22)14-23(10-3-16-4-12-24-15-16)17-13-19(17)5-7-20-8-6-19;/h9,11,16-17,20H,2-8,10,12-15H2,1H3;1H
InChIKeyRJFILBQVOWEMPA-UHFFFAOYSA-N
XLogP2.70
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
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-[(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-[2-(2,2-difluoroethoxy)ethyl]-N-[(1-ethylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120967087
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-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845305
N-[(1-ethylimidazol-2-yl)methyl]-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845313
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
(2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 129465887
N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845331
(3R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 129341004

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120845295) is N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is CCn1ccnc1CN(CCC1CCOC1)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is RJFILBQVOWEMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.ClH/c1-2-22-11-9-21-18(22)14-23(10-3-16-4-12-24-15-16)17-13-19(17)5-7-20-8-6-19;/h9,11,16-17,20H,2-8,10,12-15H2,1H3;1H.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120845295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).