N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine

C18H27N3O — CID 50848451

IUPACN-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine
SMILESCOc1ccccc1CNC1=NCCCNC12CCCCC2
InChIInChI=1S/C18H27N3O/c1-22-16-9-4-3-8-15(16)14-20-17-18(10-5-2-6-11-18)21-13-7-12-19-17/h3-4,8-9,21H,2,5-7,10-14H2,1H3,(H,19,20)
InChIKeyQXSMKJFYBKFQBO-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.88
Rot. Bonds3

About N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine

N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine (PubChem CID 50848451) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine
PubChem CID50848451
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine
SMILESCOc1ccccc1CNC1=NCCCNC12CCCCC2
InChIInChI=1S/C18H27N3O/c1-22-16-9-4-3-8-15(16)14-20-17-18(10-5-2-6-11-18)21-13-7-12-19-17/h3-4,8-9,21H,2,5-7,10-14H2,1H3,(H,19,20)
InChIKeyQXSMKJFYBKFQBO-UHFFFAOYSA-N
XLogP2.88
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine (CID 50848451) is N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine is COc1ccccc1CNC1=NCCCNC12CCCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine?
The InChIKey is QXSMKJFYBKFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-22-16-9-4-3-8-15(16)14-20-17-18(10-5-2-6-11-18)21-13-7-12-19-17/h3-4,8-9,21H,2,5-7,10-14H2,1H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine?
N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine has a molecular weight of 301.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-7,11-diazaspiro[5.6]dodec-11-en-12-amine is sourced from PubChem (CID 50848451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).