N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine

C20H31N5O — CID 128995326

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine
SMILESCCc1noc(C)c1CN(Cc1nccn1CC)C1CC12CCNCC2
InChIInChI=1S/C20H31N5O/c1-4-17-16(15(3)26-23-17)13-25(14-19-22-10-11-24(19)5-2)18-12-20(18)6-8-21-9-7-20/h10-11,18,21H,4-9,12-14H2,1-3H3
InChIKeyBJGPHRMUCZOVNS-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.91
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 128995326) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine
PubChem CID128995326
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine
SMILESCCc1noc(C)c1CN(Cc1nccn1CC)C1CC12CCNCC2
InChIInChI=1S/C20H31N5O/c1-4-17-16(15(3)26-23-17)13-25(14-19-22-10-11-24(19)5-2)18-12-20(18)6-8-21-9-7-20/h10-11,18,21H,4-9,12-14H2,1-3H3
InChIKeyBJGPHRMUCZOVNS-UHFFFAOYSA-N
XLogP2.91
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of 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) is N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine is CCc1noc(C)c1CN(Cc1nccn1CC)C1CC12CCNCC2.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
The InChIKey is BJGPHRMUCZOVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-4-17-16(15(3)26-23-17)13-25(14-19-22-10-11-24(19)5-2)18-12-20(18)6-8-21-9-7-20/h10-11,18,21H,4-9,12-14H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 357.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 128995326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).