3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine

C26H37NO — CID 57038793

IUPAC3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine
SMILESCCCCCC/N=C/CCOC(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO/c1-2-3-4-13-21-27-22-14-23-28-26(25-18-9-6-10-19-25)20-12-11-17-24-15-7-5-8-16-24/h5-10,15-16,18-19,22,26H,2-4,11-14,17,20-21,23H2,1H3/b27-22+
InChIKeyOMAHTGGQALVEKG-HPNDGRJYSA-N
MW379.59 g/mol
LogP7.20
Rot. Bonds15

About 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine

3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine (PubChem CID 57038793) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine.

Molecular Properties

Compound Name3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine
PubChem CID57038793
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine
SMILESCCCCCC/N=C/CCOC(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO/c1-2-3-4-13-21-27-22-14-23-28-26(25-18-9-6-10-19-25)20-12-11-17-24-15-7-5-8-16-24/h5-10,15-16,18-19,22,26H,2-4,11-14,17,20-21,23H2,1H3/b27-22+
InChIKeyOMAHTGGQALVEKG-HPNDGRJYSA-N
XLogP7.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-dodecoxyhexylbenzene
CID 174774790
N-(5-phenylhexyl)hexan-1-imine
CID 91399547
1-ethoxydecylbenzene
CID 71423896
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine?
The IUPAC name of 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine (CID 57038793) is 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine.
What is the SMILES notation for 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine?
The canonical SMILES for 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine is CCCCCC/N=C/CCOC(CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine?
The InChIKey is OMAHTGGQALVEKG-HPNDGRJYSA-N. The full InChI is InChI=1S/C26H37NO/c1-2-3-4-13-21-27-22-14-23-28-26(25-18-9-6-10-19-25)20-12-11-17-24-15-7-5-8-16-24/h5-10,15-16,18-19,22,26H,2-4,11-14,17,20-21,23H2,1H3/b27-22+.
What are the key properties of 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine?
3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine has a molecular weight of 379.59 g/mol, XLogP of 7.20, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine is sourced from PubChem (CID 57038793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).