N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine

C18H27N3O — CID 46389070

IUPACN-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine
SMILESCOc1ccc(CNC2=NCCNC23CCCCCC3)cc1
InChIInChI=1S/C18H27N3O/c1-22-16-8-6-15(7-9-16)14-20-17-18(21-13-12-19-17)10-4-2-3-5-11-18/h6-9,21H,2-5,10-14H2,1H3,(H,19,20)
InChIKeyUFWPRDWSLYYDDT-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.88
Rot. Bonds3

About N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine

N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine (PubChem CID 46389070) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine
PubChem CID46389070
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine
SMILESCOc1ccc(CNC2=NCCNC23CCCCCC3)cc1
InChIInChI=1S/C18H27N3O/c1-22-16-8-6-15(7-9-16)14-20-17-18(21-13-12-19-17)10-4-2-3-5-11-18/h6-9,21H,2-5,10-14H2,1H3,(H,19,20)
InChIKeyUFWPRDWSLYYDDT-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

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Related Compounds

tert-butyl 5-[(4-methoxyphenyl)methylamino]-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379692
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
9-(benzenesulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine;hydrochloride
CID 146063074
N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine
CID 159638665
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918334
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
[3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propyl]hydrazine
CID 106831235
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
CID 12774555

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine (CID 46389070) is N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine is COc1ccc(CNC2=NCCNC23CCCCCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine?
The InChIKey is UFWPRDWSLYYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-22-16-8-6-15(7-9-16)14-20-17-18(21-13-12-19-17)10-4-2-3-5-11-18/h6-9,21H,2-5,10-14H2,1H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine?
N-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-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-[(4-methoxyphenyl)methyl]-1,4-diazaspiro[5.6]dodec-4-en-5-amine is sourced from PubChem (CID 46389070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).