7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C16H23NO — CID 24804627

IUPAC7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)OC1(CCC1)CC2N
InChIInChI=1S/C16H23NO/c1-15(2,3)11-5-6-12-13(17)10-16(7-4-8-16)18-14(12)9-11/h5-6,9,13H,4,7-8,10,17H2,1-3H3
InChIKeyIYHKYAPBWISJMN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.69
Rot. Bonds

About 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 24804627) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID24804627
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)OC1(CCC1)CC2N
InChIInChI=1S/C16H23NO/c1-15(2,3)11-5-6-12-13(17)10-16(7-4-8-16)18-14(12)9-11/h5-6,9,13H,4,7-8,10,17H2,1-3H3
InChIKeyIYHKYAPBWISJMN-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 24804627) is 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CC(C)(C)c1ccc2c(c1)OC1(CCC1)CC2N.
What is the InChIKey of 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is IYHKYAPBWISJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2,3)11-5-6-12-13(17)10-16(7-4-8-16)18-14(12)9-11/h5-6,9,13H,4,7-8,10,17H2,1-3H3.
What are the key properties of 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 24804627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).