N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C23H33N5 — CID 167822778

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCCn1ccnc1CN(Cc1ccc2c(c1)CNCC2)C1CC12CCNCC2
InChIInChI=1S/C23H33N5/c1-2-27-12-11-26-22(27)17-28(21-14-23(21)6-9-24-10-7-23)16-18-3-4-19-5-8-25-15-20(19)13-18/h3-4,11-13,21,24-25H,2,5-10,14-17H2,1H3
InChIKeyITUOYXICBJXOGG-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.69
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 167822778) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID167822778
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCCn1ccnc1CN(Cc1ccc2c(c1)CNCC2)C1CC12CCNCC2
InChIInChI=1S/C23H33N5/c1-2-27-12-11-26-22(27)17-28(21-14-23(21)6-9-24-10-7-23)16-18-3-4-19-5-8-25-15-20(19)13-18/h3-4,11-13,21,24-25H,2,5-10,14-17H2,1H3
InChIKeyITUOYXICBJXOGG-UHFFFAOYSA-N
XLogP2.69
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 167822778) is N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine is CCn1ccnc1CN(Cc1ccc2c(c1)CNCC2)C1CC12CCNCC2.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is ITUOYXICBJXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-2-27-12-11-26-22(27)17-28(21-14-23(21)6-9-24-10-7-23)16-18-3-4-19-5-8-25-15-20(19)13-18/h3-4,11-13,21,24-25H,2,5-10,14-17H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 379.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 167822778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).