N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine

C17H25N3O — CID 46389040

IUPACN-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
SMILESCOc1ccccc1CNC1=NCCNC12CCCCC2
InChIInChI=1S/C17H25N3O/c1-21-15-8-4-3-7-14(15)13-19-16-17(20-12-11-18-16)9-5-2-6-10-17/h3-4,7-8,20H,2,5-6,9-13H2,1H3,(H,18,19)
InChIKeyPIYSIINCOSFTMU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.49
Rot. Bonds3

About N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine

N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine (PubChem CID 46389040) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
PubChem CID46389040
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
SMILESCOc1ccccc1CNC1=NCCNC12CCCCC2
InChIInChI=1S/C17H25N3O/c1-21-15-8-4-3-7-14(15)13-19-16-17(20-12-11-18-16)9-5-2-6-10-17/h3-4,7-8,20H,2,5-6,9-13H2,1H3,(H,18,19)
InChIKeyPIYSIINCOSFTMU-UHFFFAOYSA-N
XLogP2.49
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine (CID 46389040) is N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine is COc1ccccc1CNC1=NCCNC12CCCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The InChIKey is PIYSIINCOSFTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-21-15-8-4-3-7-14(15)13-19-16-17(20-12-11-18-16)9-5-2-6-10-17/h3-4,7-8,20H,2,5-6,9-13H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
N-[(2-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine has a molecular weight of 287.41 g/mol, XLogP of 2.49, 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]-1,4-diazaspiro[5.5]undec-4-en-5-amine is sourced from PubChem (CID 46389040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).