[1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate

C17H30N2O — CID 171657544

IUPAC[1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate
SMILES[H]/N=C(\C)OCC1(CN2CCC3(CC2)CC(CC)C3)CC1
InChIInChI=1S/C17H30N2O/c1-3-15-10-16(11-15)6-8-19(9-7-16)12-17(4-5-17)13-20-14(2)18/h15,18H,3-13H2,1-2H3/b18-14+
InChIKeyKSOAQAFXALBNTO-NBVRZTHBSA-N
MW278.44 g/mol
LogP3.68
Rot. Bonds5

About [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate

[1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate (PubChem CID 171657544) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate.

Molecular Properties

Compound Name[1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate
PubChem CID171657544
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name[1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate
SMILES[H]/N=C(\C)OCC1(CN2CCC3(CC2)CC(CC)C3)CC1
InChIInChI=1S/C17H30N2O/c1-3-15-10-16(11-15)6-8-19(9-7-16)12-17(4-5-17)13-20-14(2)18/h15,18H,3-13H2,1-2H3/b18-14+
InChIKeyKSOAQAFXALBNTO-NBVRZTHBSA-N
XLogP3.68
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate?
The IUPAC name of [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate (CID 171657544) is [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate.
What is the SMILES notation for [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate?
The canonical SMILES for [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate is [H]/N=C(\C)OCC1(CN2CCC3(CC2)CC(CC)C3)CC1.
What is the InChIKey of [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate?
The InChIKey is KSOAQAFXALBNTO-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-15-10-16(11-15)6-8-19(9-7-16)12-17(4-5-17)13-20-14(2)18/h15,18H,3-13H2,1-2H3/b18-14+.
What are the key properties of [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate?
[1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate has a molecular weight of 278.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-7-azaspiro[3.5]nonan-7-yl)methyl]cyclopropyl]methyl ethanimidate is sourced from PubChem (CID 171657544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).