3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine

C15H25NO — CID 139363141

IUPAC3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine
SMILESC=C(/C=C(\C=C/C)C(C)(C)C)OC1CC(N)C1
InChIInChI=1S/C15H25NO/c1-6-7-12(15(3,4)5)8-11(2)17-14-9-13(16)10-14/h6-8,13-14H,2,9-10,16H2,1,3-5H3/b7-6-,12-8+
InChIKeyZQAUARASULBKNH-UGLNBITBSA-N
MW235.37 g/mol
LogP3.56
Rot. Bonds4

About 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine

3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine (PubChem CID 139363141) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine
PubChem CID139363141
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine
SMILESC=C(/C=C(\C=C/C)C(C)(C)C)OC1CC(N)C1
InChIInChI=1S/C15H25NO/c1-6-7-12(15(3,4)5)8-11(2)17-14-9-13(16)10-14/h6-8,13-14H,2,9-10,16H2,1,3-5H3/b7-6-,12-8+
InChIKeyZQAUARASULBKNH-UGLNBITBSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
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 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine?
The IUPAC name of 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine (CID 139363141) is 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine.
What is the SMILES notation for 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine?
The canonical SMILES for 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine is C=C(/C=C(\C=C/C)C(C)(C)C)OC1CC(N)C1.
What is the InChIKey of 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine?
The InChIKey is ZQAUARASULBKNH-UGLNBITBSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-7-12(15(3,4)5)8-11(2)17-14-9-13(16)10-14/h6-8,13-14H,2,9-10,16H2,1,3-5H3/b7-6-,12-8+.
What are the key properties of 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine?
3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 139363141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).