N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine

C14H22N2 — CID 176699117

IUPACN-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CC2(CC(C(C)C)C2)C1
InChIInChI=1S/C14H22N2/c1-5-6-13(15-4)16-9-14(10-16)7-12(8-14)11(2)3/h5-6,11-12H,1,4,7-10H2,2-3H3/b13-6+
InChIKeyWNWJEWGUOXARHD-AWNIVKPZSA-N
MW218.34 g/mol
LogP3.08
Rot. Bonds4

About N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine

N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine (PubChem CID 176699117) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine
PubChem CID176699117
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CC2(CC(C(C)C)C2)C1
InChIInChI=1S/C14H22N2/c1-5-6-13(15-4)16-9-14(10-16)7-12(8-14)11(2)3/h5-6,11-12H,1,4,7-10H2,2-3H3/b13-6+
InChIKeyWNWJEWGUOXARHD-AWNIVKPZSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.08
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'}

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Related Compounds

N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine
CID 176699057

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine (CID 176699117) is N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine is C=C/C=C(\N=C)N1CC2(CC(C(C)C)C2)C1.
What is the InChIKey of N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine?
The InChIKey is WNWJEWGUOXARHD-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-6-13(15-4)16-9-14(10-16)7-12(8-14)11(2)3/h5-6,11-12H,1,4,7-10H2,2-3H3/b13-6+.
What are the key properties of N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine?
N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine has a molecular weight of 218.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 176699117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).