3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine

C17H25NO2 — CID 104524773

IUPAC3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine
SMILESCCCNC1CCOC2(C1)c1ccccc1OCC2C
InChIInChI=1S/C17H25NO2/c1-3-9-18-14-8-10-20-17(11-14)13(2)12-19-16-7-5-4-6-15(16)17/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyQCGBLSVGBDSBEX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.09
Rot. Bonds3

About 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine

3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine (PubChem CID 104524773) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine.

Molecular Properties

Compound Name3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine
PubChem CID104524773
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine
SMILESCCCNC1CCOC2(C1)c1ccccc1OCC2C
InChIInChI=1S/C17H25NO2/c1-3-9-18-14-8-10-20-17(11-14)13(2)12-19-16-7-5-4-6-15(16)17/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyQCGBLSVGBDSBEX-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine?
The IUPAC name of 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine (CID 104524773) is 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine.
What is the SMILES notation for 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine?
The canonical SMILES for 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine is CCCNC1CCOC2(C1)c1ccccc1OCC2C.
What is the InChIKey of 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine?
The InChIKey is QCGBLSVGBDSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-9-18-14-8-10-20-17(11-14)13(2)12-19-16-7-5-4-6-15(16)17/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine?
3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine has a molecular weight of 275.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine is sourced from PubChem (CID 104524773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).