7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C19H29NO2 — CID 82462770

IUPAC7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCNC1CC2(CCCC2)Oc2cc(OC(C)CC)ccc21
InChIInChI=1S/C19H29NO2/c1-4-14(3)21-15-8-9-16-17(20-5-2)13-19(10-6-7-11-19)22-18(16)12-15/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3
InChIKeyPGEIHUZFMZHFOU-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.61
Rot. Bonds5

About 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82462770) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82462770
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCNC1CC2(CCCC2)Oc2cc(OC(C)CC)ccc21
InChIInChI=1S/C19H29NO2/c1-4-14(3)21-15-8-9-16-17(20-5-2)13-19(10-6-7-11-19)22-18(16)12-15/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3
InChIKeyPGEIHUZFMZHFOU-UHFFFAOYSA-N
XLogP4.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82462770) is 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCNC1CC2(CCCC2)Oc2cc(OC(C)CC)ccc21.
What is the InChIKey of 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is PGEIHUZFMZHFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-14(3)21-15-8-9-16-17(20-5-2)13-19(10-6-7-11-19)22-18(16)12-15/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 303.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82462770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).