5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C16H23N5O2 — CID 169374746

IUPAC5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCOCOc1ccccc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C16H23N5O2/c1-22-11-23-13-8-4-3-7-12(13)21-15(18)19-14(17)20-16(21)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H4,17,18,19,20)
InChIKeyCDWZCWLWFZFEND-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.78
Rot. Bonds4

About 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169374746) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169374746
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCOCOc1ccccc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C16H23N5O2/c1-22-11-23-13-8-4-3-7-12(13)21-15(18)19-14(17)20-16(21)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H4,17,18,19,20)
InChIKeyCDWZCWLWFZFEND-UHFFFAOYSA-N
XLogP1.78
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-pyridin-2-ylethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375000
5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374897
5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376824
5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375014
5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378039
ethyl 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoate
CID 169373608
5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375938
5-[2-bromo-3-(2,2-difluoroethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376074
5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375035
5-[2-(piperidin-1-ylmethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374226
5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373620
5-[3-chloro-2-(diethylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375995

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169374746) is 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is COCOc1ccccc1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is CDWZCWLWFZFEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-22-11-23-13-8-4-3-7-12(13)21-15(18)19-14(17)20-16(21)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 317.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169374746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).