(Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine

C17H25NO3 — CID 168901642

IUPAC(Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine
SMILESC=C/C(CCOCCCCCOc1ccccc1)=N\OC
InChIInChI=1S/C17H25NO3/c1-3-16(18-19-2)12-15-20-13-8-5-9-14-21-17-10-6-4-7-11-17/h3-4,6-7,10-11H,1,5,8-9,12-15H2,2H3/b18-16+
InChIKeyUKXJRHRQUJWZGC-FBMGVBCBSA-N
MW291.39 g/mol
LogP3.83
Rot. Bonds12

About (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine

(Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine (PubChem CID 168901642) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine
PubChem CID168901642
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine
SMILESC=C/C(CCOCCCCCOc1ccccc1)=N\OC
InChIInChI=1S/C17H25NO3/c1-3-16(18-19-2)12-15-20-13-8-5-9-14-21-17-10-6-4-7-11-17/h3-4,6-7,10-11H,1,5,8-9,12-15H2,2H3/b18-16+
InChIKeyUKXJRHRQUJWZGC-FBMGVBCBSA-N
XLogP3.83
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-N-methoxy-1-[3-(2-phenoxyethoxy)propoxy]but-3-en-2-imine
CID 168901288
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
6-ethenoxyhexoxybenzene
CID 57094182
2-methylidene-5-(3-phenoxypropoxy)pentanoic acid
CID 70178682
2-pentoxyethoxybenzene
CID 54431229
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
penta-1,4-diene;pentoxybenzene
CID 174999180

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine?
The IUPAC name of (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine (CID 168901642) is (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine.
What is the SMILES notation for (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine?
The canonical SMILES for (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine is C=C/C(CCOCCCCCOc1ccccc1)=N\OC.
What is the InChIKey of (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine?
The InChIKey is UKXJRHRQUJWZGC-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-16(18-19-2)12-15-20-13-8-5-9-14-21-17-10-6-4-7-11-17/h3-4,6-7,10-11H,1,5,8-9,12-15H2,2H3/b18-16+.
What are the key properties of (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine?
(Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine has a molecular weight of 291.39 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-5-(5-phenoxypentoxy)pent-1-en-3-imine is sourced from PubChem (CID 168901642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).