1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

C17H26N2O — CID 114709709

IUPAC1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCN1CCCC2(CC1)CC(N)c1cc(C)ccc1O2
InChIInChI=1S/C17H26N2O/c1-3-19-9-4-7-17(8-10-19)12-15(18)14-11-13(2)5-6-16(14)20-17/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3
InChIKeyRPCMFNFLUCFDNZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.02
Rot. Bonds1

About 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (PubChem CID 114709709) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.

Molecular Properties

Compound Name1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
PubChem CID114709709
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCN1CCCC2(CC1)CC(N)c1cc(C)ccc1O2
InChIInChI=1S/C17H26N2O/c1-3-19-9-4-7-17(8-10-19)12-15(18)14-11-13(2)5-6-16(14)20-17/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3
InChIKeyRPCMFNFLUCFDNZ-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The IUPAC name of 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (CID 114709709) is 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.
What is the SMILES notation for 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The canonical SMILES for 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is CCN1CCCC2(CC1)CC(N)c1cc(C)ccc1O2.
What is the InChIKey of 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The InChIKey is RPCMFNFLUCFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19-9-4-7-17(8-10-19)12-15(18)14-11-13(2)5-6-16(14)20-17/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3.
What are the key properties of 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is sourced from PubChem (CID 114709709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).