cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol

C19H37NO — CID 142597141

IUPACcyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol
SMILESCC.CCC.CCCC1=CC(O)=CCC=C1.NC1CCC1
InChIInChI=1S/C10H14O.C4H9N.C3H8.C2H6/c1-2-5-9-6-3-4-7-10(11)8-9;5-4-2-1-3-4;1-3-2;1-2/h3,6-8,11H,2,4-5H2,1H3;4H,1-3,5H2;3H2,1-2H3;1-2H3
InChIKeyMNMFZMLRWXTQLO-UHFFFAOYSA-N
MW295.51 g/mol
LogP6.05
Rot. Bonds2

About cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol

cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol (PubChem CID 142597141) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Namecyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol
PubChem CID142597141
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Namecyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol
SMILESCC.CCC.CCCC1=CC(O)=CCC=C1.NC1CCC1
InChIInChI=1S/C10H14O.C4H9N.C3H8.C2H6/c1-2-5-9-6-3-4-7-10(11)8-9;5-4-2-1-3-4;1-3-2;1-2/h3,6-8,11H,2,4-5H2,1H3;4H,1-3,5H2;3H2,1-2H3;1-2H3
InChIKeyMNMFZMLRWXTQLO-UHFFFAOYSA-N
XLogP6.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol?
The IUPAC name of cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol (CID 142597141) is cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol is CC.CCC.CCCC1=CC(O)=CCC=C1.NC1CCC1.
What is the InChIKey of cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol?
The InChIKey is MNMFZMLRWXTQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C4H9N.C3H8.C2H6/c1-2-5-9-6-3-4-7-10(11)8-9;5-4-2-1-3-4;1-3-2;1-2/h3,6-8,11H,2,4-5H2,1H3;4H,1-3,5H2;3H2,1-2H3;1-2H3.
What are the key properties of cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol?
cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol has a molecular weight of 295.51 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanamine;ethane;propane;6-propylcyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 142597141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).