benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane

C22H41N — CID 178108805

IUPACbenzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane
SMILESC=CN1CCCC12CC2.CC.CCC.CCC.c1ccccc1
InChIInChI=1S/C8H13N.C6H6.2C3H8.C2H6/c1-2-9-7-3-4-8(9)5-6-8;1-2-4-6-5-3-1;2*1-3-2;1-2/h2H,1,3-7H2;1-6H;2*3H2,1-2H3;1-2H3
InChIKeyKJJURVPHMULNTF-UHFFFAOYSA-N
MW319.58 g/mol
LogP7.30
Rot. Bonds1

About benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane

benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane (PubChem CID 178108805) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane.

Molecular Properties

Compound Namebenzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane
PubChem CID178108805
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Namebenzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane
SMILESC=CN1CCCC12CC2.CC.CCC.CCC.c1ccccc1
InChIInChI=1S/C8H13N.C6H6.2C3H8.C2H6/c1-2-9-7-3-4-8(9)5-6-8;1-2-4-6-5-3-1;2*1-3-2;1-2/h2H,1,3-7H2;1-6H;2*3H2,1-2H3;1-2H3
InChIKeyKJJURVPHMULNTF-UHFFFAOYSA-N
XLogP7.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane
CID 87415610
4-azaspiro[2.4]heptane-4-carbaldehyde
CID 166139649
1,2-bis(ethenyl)-2-methylpyrrolidine
CID 134972345
4-azaspiro[2.4]heptane-4-carbaldehyde;ethane;(3Z)-hexa-1,3,5-triene;1-pyrrolidin-1-ylhexane-1,5-dione
CID 178108739
benzene;tris(cyclohexane);ethane;methane;propane
CID 160511909
4-ethenyl-2-propan-2-yl-4-azaspiro[2.4]heptane
CID 163444318
benzene;ethane;propane
CID 91481654
cyclopropane;ethane;ethenamine;propane
CID 165407698
ethane;4-propan-2-yl-4-azaspiro[2.4]heptane
CID 170635118
4-azaspiro[2.4]heptane-4-carbaldehyde;benzene;5-[methyl-[(3-methyloxetan-3-yl)methyl]amino]hexanal;1-methylpyrrolidine
CID 178108332
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951
benzene;1-ethenylazonane
CID 175300196

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane?
The IUPAC name of benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane (CID 178108805) is benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane.
What is the SMILES notation for benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane?
The canonical SMILES for benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane is C=CN1CCCC12CC2.CC.CCC.CCC.c1ccccc1.
What is the InChIKey of benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane?
The InChIKey is KJJURVPHMULNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C6H6.2C3H8.C2H6/c1-2-9-7-3-4-8(9)5-6-8;1-2-4-6-5-3-1;2*1-3-2;1-2/h2H,1,3-7H2;1-6H;2*3H2,1-2H3;1-2H3.
What are the key properties of benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane?
benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane has a molecular weight of 319.58 g/mol, XLogP of 7.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane is sourced from PubChem (CID 178108805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).