cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane

C18H37NO — CID 142386204

IUPACcyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane
SMILESC=C/C(=C\C(=C)O)CCC.CC.CCC.NC1CCC1
InChIInChI=1S/C9H14O.C4H9N.C3H8.C2H6/c1-4-6-9(5-2)7-8(3)10;5-4-2-1-3-4;1-3-2;1-2/h5,7,10H,2-4,6H2,1H3;4H,1-3,5H2;3H2,1-2H3;1-2H3/b9-7+;;;
InChIKeyFIPGHXJEXNZSDT-UVUKSMQLSA-N
MW283.50 g/mol
LogP5.91
Rot. Bonds4

About cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane

cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane (PubChem CID 142386204) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane.

Molecular Properties

Compound Namecyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane
PubChem CID142386204
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Namecyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane
SMILESC=C/C(=C\C(=C)O)CCC.CC.CCC.NC1CCC1
InChIInChI=1S/C9H14O.C4H9N.C3H8.C2H6/c1-4-6-9(5-2)7-8(3)10;5-4-2-1-3-4;1-3-2;1-2/h5,7,10H,2-4,6H2,1H3;4H,1-3,5H2;3H2,1-2H3;1-2H3/b9-7+;;;
InChIKeyFIPGHXJEXNZSDT-UVUKSMQLSA-N
XLogP5.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane?
The IUPAC name of cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane (CID 142386204) is cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane.
What is the SMILES notation for cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane?
The canonical SMILES for cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane is C=C/C(=C\C(=C)O)CCC.CC.CCC.NC1CCC1.
What is the InChIKey of cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane?
The InChIKey is FIPGHXJEXNZSDT-UVUKSMQLSA-N. The full InChI is InChI=1S/C9H14O.C4H9N.C3H8.C2H6/c1-4-6-9(5-2)7-8(3)10;5-4-2-1-3-4;1-3-2;1-2/h5,7,10H,2-4,6H2,1H3;4H,1-3,5H2;3H2,1-2H3;1-2H3/b9-7+;;;.
What are the key properties of cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane?
cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane has a molecular weight of 283.50 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanamine;ethane;(3Z)-4-ethenylhepta-1,3-dien-2-ol;propane is sourced from PubChem (CID 142386204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).