7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

C17H26N2O2 — CID 114710834

IUPAC7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCNC1CC2(CCCN(C)CC2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H26N2O2/c1-18-15-12-17(7-4-9-19(2)10-8-17)21-16-11-13(20-3)5-6-14(15)16/h5-6,11,15,18H,4,7-10,12H2,1-3H3
InChIKeyXYWWUJWCCJFJNF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds2

About 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (PubChem CID 114710834) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.

Molecular Properties

Compound Name7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
PubChem CID114710834
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCNC1CC2(CCCN(C)CC2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H26N2O2/c1-18-15-12-17(7-4-9-19(2)10-8-17)21-16-11-13(20-3)5-6-14(15)16/h5-6,11,15,18H,4,7-10,12H2,1-3H3
InChIKeyXYWWUJWCCJFJNF-UHFFFAOYSA-N
XLogP2.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The IUPAC name of 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (CID 114710834) is 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.
What is the SMILES notation for 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The canonical SMILES for 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is CNC1CC2(CCCN(C)CC2)Oc2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The InChIKey is XYWWUJWCCJFJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-15-12-17(7-4-9-19(2)10-8-17)21-16-11-13(20-3)5-6-14(15)16/h5-6,11,15,18H,4,7-10,12H2,1-3H3.
What are the key properties of 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is sourced from PubChem (CID 114710834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).