benzene;ethane;N-hexan-3-yloxymethanimine

C15H27NO — CID 143617834

IUPACbenzene;ethane;N-hexan-3-yloxymethanimine
SMILESC=NOC(CC)CCC.CC.c1ccccc1
InChIInChI=1S/C7H15NO.C6H6.C2H6/c1-4-6-7(5-2)9-8-3;1-2-4-6-5-3-1;1-2/h7H,3-6H2,1-2H3;1-6H;1-2H3
InChIKeyDMZMMXOYOJJURX-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.91
Rot. Bonds5

About benzene;ethane;N-hexan-3-yloxymethanimine

benzene;ethane;N-hexan-3-yloxymethanimine (PubChem CID 143617834) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is benzene;ethane;N-hexan-3-yloxymethanimine.

Molecular Properties

Compound Namebenzene;ethane;N-hexan-3-yloxymethanimine
PubChem CID143617834
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namebenzene;ethane;N-hexan-3-yloxymethanimine
SMILESC=NOC(CC)CCC.CC.c1ccccc1
InChIInChI=1S/C7H15NO.C6H6.C2H6/c1-4-6-7(5-2)9-8-3;1-2-4-6-5-3-1;1-2/h7H,3-6H2,1-2H3;1-6H;1-2H3
InChIKeyDMZMMXOYOJJURX-UHFFFAOYSA-N
XLogP4.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-hexan-3-yloxymethanimine?
The IUPAC name of benzene;ethane;N-hexan-3-yloxymethanimine (CID 143617834) is benzene;ethane;N-hexan-3-yloxymethanimine.
What is the SMILES notation for benzene;ethane;N-hexan-3-yloxymethanimine?
The canonical SMILES for benzene;ethane;N-hexan-3-yloxymethanimine is C=NOC(CC)CCC.CC.c1ccccc1.
What is the InChIKey of benzene;ethane;N-hexan-3-yloxymethanimine?
The InChIKey is DMZMMXOYOJJURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H6.C2H6/c1-4-6-7(5-2)9-8-3;1-2-4-6-5-3-1;1-2/h7H,3-6H2,1-2H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;N-hexan-3-yloxymethanimine?
benzene;ethane;N-hexan-3-yloxymethanimine has a molecular weight of 237.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-hexan-3-yloxymethanimine is sourced from PubChem (CID 143617834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).