N-ethyl-3-hexoxypropan-1-imine

C11H23NO — CID 87877005

IUPACN-ethyl-3-hexoxypropan-1-imine
SMILESCCCCCCOCC/C=N/CC
InChIInChI=1S/C11H23NO/c1-3-5-6-7-10-13-11-8-9-12-4-2/h9H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyOCVYKQXABJRDPY-FMIVXFBMSA-N
MW185.31 g/mol
LogP3.06
Rot. Bonds9

About N-ethyl-3-hexoxypropan-1-imine

N-ethyl-3-hexoxypropan-1-imine (PubChem CID 87877005) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-3-hexoxypropan-1-imine.

Molecular Properties

Compound NameN-ethyl-3-hexoxypropan-1-imine
PubChem CID87877005
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-3-hexoxypropan-1-imine
SMILESCCCCCCOCC/C=N/CC
InChIInChI=1S/C11H23NO/c1-3-5-6-7-10-13-11-8-9-12-4-2/h9H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyOCVYKQXABJRDPY-FMIVXFBMSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.06
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

(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine
CID 134877295
2-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 11789440
ethyl N-methylpentanimidate
CID 53840622
N-methylethanimine;oxane
CID 68775785
7-propoxy-3,4,5,6-tetrahydro-2H-azepine
CID 69759523
2-Butoxy-2,3,4,5-tetrahydropyridine
CID 70438176
Ethane;5-methyliminopentan-1-olate
CID 90862657
1-methoxy-N-propylhexan-3-imine
CID 123415502
N-(6-methoxyhexyl)butan-1-imine
CID 123891261
methyl N-methylhexanimidate
CID 144206625
6-Ethyliminohexan-1-ol
CID 146626494
2-hexyl-5,6-dihydro-4H-1,3-oxazine
CID 165058120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hexoxypropan-1-imine?
The IUPAC name of N-ethyl-3-hexoxypropan-1-imine (CID 87877005) is N-ethyl-3-hexoxypropan-1-imine.
What is the SMILES notation for N-ethyl-3-hexoxypropan-1-imine?
The canonical SMILES for N-ethyl-3-hexoxypropan-1-imine is CCCCCCOCC/C=N/CC.
What is the InChIKey of N-ethyl-3-hexoxypropan-1-imine?
The InChIKey is OCVYKQXABJRDPY-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-7-10-13-11-8-9-12-4-2/h9H,3-8,10-11H2,1-2H3/b12-9+.
What are the key properties of N-ethyl-3-hexoxypropan-1-imine?
N-ethyl-3-hexoxypropan-1-imine has a molecular weight of 185.31 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hexoxypropan-1-imine is sourced from PubChem (CID 87877005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).