ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine

C18H35N3O3 — CID 145306153

IUPACethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine
SMILESCCOC=O.CO/N=C(\C)C1CCN(C2CCCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O.C3H6O2/c1-13(16-19-3)14-6-11-18(12-7-14)15-5-4-9-17(2)10-8-15;1-2-5-3-4/h14-15H,4-12H2,1-3H3;3H,2H2,1H3/b16-13+;
InChIKeyRIEUAZMUXLVUHD-ZUQRMPMESA-N
MW341.50 g/mol
LogP2.38
Rot. Bonds5

About ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine

ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine (PubChem CID 145306153) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine.

Molecular Properties

Compound Nameethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine
PubChem CID145306153
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nameethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine
SMILESCCOC=O.CO/N=C(\C)C1CCN(C2CCCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O.C3H6O2/c1-13(16-19-3)14-6-11-18(12-7-14)15-5-4-9-17(2)10-8-15;1-2-5-3-4/h14-15H,4-12H2,1-3H3;3H,2H2,1H3/b16-13+;
InChIKeyRIEUAZMUXLVUHD-ZUQRMPMESA-N
XLogP2.38
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine?
The IUPAC name of ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine (CID 145306153) is ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine.
What is the SMILES notation for ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine?
The canonical SMILES for ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine is CCOC=O.CO/N=C(\C)C1CCN(C2CCCN(C)CC2)CC1.
What is the InChIKey of ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine?
The InChIKey is RIEUAZMUXLVUHD-ZUQRMPMESA-N. The full InChI is InChI=1S/C15H29N3O.C3H6O2/c1-13(16-19-3)14-6-11-18(12-7-14)15-5-4-9-17(2)10-8-15;1-2-5-3-4/h14-15H,4-12H2,1-3H3;3H,2H2,1H3/b16-13+;.
What are the key properties of ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine?
ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine has a molecular weight of 341.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;(E)-N-methoxy-1-[1-(1-methylazepan-4-yl)piperidin-4-yl]ethanimine is sourced from PubChem (CID 145306153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).