5-[(3-methoxyphenyl)methoxy]pentanimidamide

C13H20N2O2 — CID 54966332

IUPAC5-[(3-methoxyphenyl)methoxy]pentanimidamide
SMILES[H]/N=C(\N)CCCCOCc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-16-12-6-4-5-11(9-12)10-17-8-3-2-7-13(14)15/h4-6,9H,2-3,7-8,10H2,1H3,(H3,14,15)
InChIKeyLVWMXRYMTITLEZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.32
Rot. Bonds8

About 5-[(3-methoxyphenyl)methoxy]pentanimidamide

5-[(3-methoxyphenyl)methoxy]pentanimidamide (PubChem CID 54966332) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]pentanimidamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]pentanimidamide
PubChem CID54966332
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name5-[(3-methoxyphenyl)methoxy]pentanimidamide
SMILES[H]/N=C(\N)CCCCOCc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-16-12-6-4-5-11(9-12)10-17-8-3-2-7-13(14)15/h4-6,9H,2-3,7-8,10H2,1H3,(H3,14,15)
InChIKeyLVWMXRYMTITLEZ-UHFFFAOYSA-N
XLogP2.32
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
CID 24695934
4-(3-ethylphenoxy)butanimidamide
CID 24704166
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
CID 43366089
3-[(3-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 24701742
(3-methoxyphenyl)methyl 6-aminohexanoate
CID 61280031
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
(3-methoxyphenyl)methyl pentanoate
CID 78789338

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]pentanimidamide?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]pentanimidamide (CID 54966332) is 5-[(3-methoxyphenyl)methoxy]pentanimidamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]pentanimidamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]pentanimidamide is [H]/N=C(\N)CCCCOCc1cccc(OC)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]pentanimidamide?
The InChIKey is LVWMXRYMTITLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-12-6-4-5-11(9-12)10-17-8-3-2-7-13(14)15/h4-6,9H,2-3,7-8,10H2,1H3,(H3,14,15).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]pentanimidamide?
5-[(3-methoxyphenyl)methoxy]pentanimidamide has a molecular weight of 236.32 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]pentanimidamide is sourced from PubChem (CID 54966332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).