1-cyclohex-3-en-1-ylazetidine;ethane;propane

C14H29N — CID 145406615

IUPAC1-cyclohex-3-en-1-ylazetidine;ethane;propane
SMILESC1=CCC(N2CCC2)CC1.CC.CCC
InChIInChI=1S/C9H15N.C3H8.C2H6/c1-2-5-9(6-3-1)10-7-4-8-10;1-3-2;1-2/h1-2,9H,3-8H2;3H2,1-2H3;1-2H3
InChIKeyQFULTFWNPMYWRR-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.24
Rot. Bonds1

About 1-cyclohex-3-en-1-ylazetidine;ethane;propane

1-cyclohex-3-en-1-ylazetidine;ethane;propane (PubChem CID 145406615) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylazetidine;ethane;propane.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylazetidine;ethane;propane
PubChem CID145406615
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-cyclohex-3-en-1-ylazetidine;ethane;propane
SMILESC1=CCC(N2CCC2)CC1.CC.CCC
InChIInChI=1S/C9H15N.C3H8.C2H6/c1-2-5-9(6-3-1)10-7-4-8-10;1-3-2;1-2/h1-2,9H,3-8H2;3H2,1-2H3;1-2H3
InChIKeyQFULTFWNPMYWRR-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-ylazetidine;ethane;propane?
The IUPAC name of 1-cyclohex-3-en-1-ylazetidine;ethane;propane (CID 145406615) is 1-cyclohex-3-en-1-ylazetidine;ethane;propane.
What is the SMILES notation for 1-cyclohex-3-en-1-ylazetidine;ethane;propane?
The canonical SMILES for 1-cyclohex-3-en-1-ylazetidine;ethane;propane is C1=CCC(N2CCC2)CC1.CC.CCC.
What is the InChIKey of 1-cyclohex-3-en-1-ylazetidine;ethane;propane?
The InChIKey is QFULTFWNPMYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C3H8.C2H6/c1-2-5-9(6-3-1)10-7-4-8-10;1-3-2;1-2/h1-2,9H,3-8H2;3H2,1-2H3;1-2H3.
What are the key properties of 1-cyclohex-3-en-1-ylazetidine;ethane;propane?
1-cyclohex-3-en-1-ylazetidine;ethane;propane has a molecular weight of 211.39 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylazetidine;ethane;propane is sourced from PubChem (CID 145406615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).