5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C18H27NO3 — CID 82462848

IUPAC5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCOc1cc(OCC)c2c(c1)OC1(CCCC1)CC2NC
InChIInChI=1S/C18H27NO3/c1-4-20-13-10-15(21-5-2)17-14(19-3)12-18(8-6-7-9-18)22-16(17)11-13/h10-11,14,19H,4-9,12H2,1-3H3
InChIKeyNQUWZBFEEMNLHG-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.84
Rot. Bonds5

About 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82462848) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82462848
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCOc1cc(OCC)c2c(c1)OC1(CCCC1)CC2NC
InChIInChI=1S/C18H27NO3/c1-4-20-13-10-15(21-5-2)17-14(19-3)12-18(8-6-7-9-18)22-16(17)11-13/h10-11,14,19H,4-9,12H2,1-3H3
InChIKeyNQUWZBFEEMNLHG-UHFFFAOYSA-N
XLogP3.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82462848) is 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCOc1cc(OCC)c2c(c1)OC1(CCCC1)CC2NC.
What is the InChIKey of 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is NQUWZBFEEMNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-20-13-10-15(21-5-2)17-14(19-3)12-18(8-6-7-9-18)22-16(17)11-13/h10-11,14,19H,4-9,12H2,1-3H3.
What are the key properties of 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 305.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82462848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).