N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine

C14H22N2 — CID 176699057

IUPACN-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCC2(CC1)CC(C)C2
InChIInChI=1S/C14H22N2/c1-4-5-13(15-3)16-8-6-14(7-9-16)10-12(2)11-14/h4-5,12H,1,3,6-11H2,2H3/b13-5+
InChIKeyWYQMXYZCNWOEDX-WLRTZDKTSA-N
MW218.34 g/mol
LogP3.23
Rot. Bonds3

About N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine

N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine (PubChem CID 176699057) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine
PubChem CID176699057
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCC2(CC1)CC(C)C2
InChIInChI=1S/C14H22N2/c1-4-5-13(15-3)16-8-6-14(7-9-16)10-12(2)11-14/h4-5,12H,1,3,6-11H2,2H3/b13-5+
InChIKeyWYQMXYZCNWOEDX-WLRTZDKTSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine with MolForge

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Related Compounds

N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 91333878
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
CID 143028537
N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine
CID 176699117
N-[(1Z)-1-(4-ethylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699174
N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699288
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 143028538
N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine
CID 171069335

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine (CID 176699057) is N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine is C=C/C=C(\N=C)N1CCC2(CC1)CC(C)C2.
What is the InChIKey of N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine?
The InChIKey is WYQMXYZCNWOEDX-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-5-13(15-3)16-8-6-14(7-9-16)10-12(2)11-14/h4-5,12H,1,3,6-11H2,2H3/b13-5+.
What are the key properties of N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine?
N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine has a molecular weight of 218.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 176699057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).