N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine

C11H18N2 — CID 170093422

IUPACN-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine
SMILESC/C=N/C1=C(C)CN(C)CC12CC2
InChIInChI=1S/C11H18N2/c1-4-12-10-9(2)7-13(3)8-11(10)5-6-11/h4H,5-8H2,1-3H3/b12-4+
InChIKeyYGWNFAKPNOWCOQ-UUILKARUSA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds1

About N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine

N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine (PubChem CID 170093422) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine.

Molecular Properties

Compound NameN-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine
PubChem CID170093422
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine
SMILESC/C=N/C1=C(C)CN(C)CC12CC2
InChIInChI=1S/C11H18N2/c1-4-12-10-9(2)7-13(3)8-11(10)5-6-11/h4H,5-8H2,1-3H3/b12-4+
InChIKeyYGWNFAKPNOWCOQ-UUILKARUSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine?
The IUPAC name of N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine (CID 170093422) is N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine.
What is the SMILES notation for N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine?
The canonical SMILES for N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine is C/C=N/C1=C(C)CN(C)CC12CC2.
What is the InChIKey of N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine?
The InChIKey is YGWNFAKPNOWCOQ-UUILKARUSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-10-9(2)7-13(3)8-11(10)5-6-11/h4H,5-8H2,1-3H3/b12-4+.
What are the key properties of N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine?
N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine is sourced from PubChem (CID 170093422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).