7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

C16H23NO2 — CID 62390031

IUPAC7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESC=CC(C)Oc1ccc2c(c1)OC(C)(C)CC2NC
InChIInChI=1S/C16H23NO2/c1-6-11(2)18-12-7-8-13-14(17-5)10-16(3,4)19-15(13)9-12/h6-9,11,14,17H,1,10H2,2-5H3
InChIKeyCVZLIXITGLCAOF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.46
Rot. Bonds4

About 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 62390031) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID62390031
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESC=CC(C)Oc1ccc2c(c1)OC(C)(C)CC2NC
InChIInChI=1S/C16H23NO2/c1-6-11(2)18-12-7-8-13-14(17-5)10-16(3,4)19-15(13)9-12/h6-9,11,14,17H,1,10H2,2-5H3
InChIKeyCVZLIXITGLCAOF-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (CID 62390031) is 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is C=CC(C)Oc1ccc2c(c1)OC(C)(C)CC2NC.
What is the InChIKey of 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is CVZLIXITGLCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-11(2)18-12-7-8-13-14(17-5)10-16(3,4)19-15(13)9-12/h6-9,11,14,17H,1,10H2,2-5H3.
What are the key properties of 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 62390031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).