N-benzyl-5-(oxan-2-yloxy)pentan-1-imine

C17H25NO2 — CID 177454410

IUPACN-benzyl-5-(oxan-2-yloxy)pentan-1-imine
SMILESC(\CCCCOC1CCCCO1)=N/Cc1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-9-16(10-4-1)15-18-12-6-2-7-13-19-17-11-5-8-14-20-17/h1,3-4,9-10,12,17H,2,5-8,11,13-15H2/b18-12+
InChIKeyDHJVZCHMDIBMOL-LDADJPATSA-N
MW275.39 g/mol
LogP3.97
Rot. Bonds8

About N-benzyl-5-(oxan-2-yloxy)pentan-1-imine

N-benzyl-5-(oxan-2-yloxy)pentan-1-imine (PubChem CID 177454410) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-benzyl-5-(oxan-2-yloxy)pentan-1-imine.

Molecular Properties

Compound NameN-benzyl-5-(oxan-2-yloxy)pentan-1-imine
PubChem CID177454410
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-benzyl-5-(oxan-2-yloxy)pentan-1-imine
SMILESC(\CCCCOC1CCCCO1)=N/Cc1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-9-16(10-4-1)15-18-12-6-2-7-13-19-17-11-5-8-14-20-17/h1,3-4,9-10,12,17H,2,5-8,11,13-15H2/b18-12+
InChIKeyDHJVZCHMDIBMOL-LDADJPATSA-N
XLogP3.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
CID 14436608
3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134920916
N-benzyl-2,2-diethoxyethanimine
CID 13977689
N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine
CID 14133091
N-benzyloxan-2-imine
CID 14529227
2,2-diethoxy-N-(1-phenylethyl)ethanimine
CID 72819751
N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine
CID 85389732
N-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine
CID 101949138
N-benzyl-3-methyloxan-2-imine
CID 134893941
2,2-diethoxy-N-[(1R)-1-phenylethyl]ethanimine
CID 11368340
N-benzyl-3-(oxan-3-yloxy)propan-1-imine
CID 20150777
7-Benzyliminohept-1-en-3-yl methyl carbonate
CID 20765102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(oxan-2-yloxy)pentan-1-imine?
The IUPAC name of N-benzyl-5-(oxan-2-yloxy)pentan-1-imine (CID 177454410) is N-benzyl-5-(oxan-2-yloxy)pentan-1-imine.
What is the SMILES notation for N-benzyl-5-(oxan-2-yloxy)pentan-1-imine?
The canonical SMILES for N-benzyl-5-(oxan-2-yloxy)pentan-1-imine is C(\CCCCOC1CCCCO1)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-5-(oxan-2-yloxy)pentan-1-imine?
The InChIKey is DHJVZCHMDIBMOL-LDADJPATSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-9-16(10-4-1)15-18-12-6-2-7-13-19-17-11-5-8-14-20-17/h1,3-4,9-10,12,17H,2,5-8,11,13-15H2/b18-12+.
What are the key properties of N-benzyl-5-(oxan-2-yloxy)pentan-1-imine?
N-benzyl-5-(oxan-2-yloxy)pentan-1-imine has a molecular weight of 275.39 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(oxan-2-yloxy)pentan-1-imine is sourced from PubChem (CID 177454410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).