N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C18H25NO2 — CID 102897194

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCC1CCC2(CCCC2)O1
InChIInChI=1S/C18H25NO2/c1-2-6-17-15(5-1)16(8-12-20-17)19-13-14-7-11-18(21-14)9-3-4-10-18/h1-2,5-6,14,16,19H,3-4,7-13H2
InChIKeyXJDXNRMGMDEYNF-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.59
Rot. Bonds3

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102897194) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID102897194
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCC1CCC2(CCCC2)O1
InChIInChI=1S/C18H25NO2/c1-2-6-17-15(5-1)16(8-12-20-17)19-13-14-7-11-18(21-14)9-3-4-10-18/h1-2,5-6,14,16,19H,3-4,7-13H2
InChIKeyXJDXNRMGMDEYNF-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 102897194) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCC1CCC2(CCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XJDXNRMGMDEYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-6-17-15(5-1)16(8-12-20-17)19-13-14-7-11-18(21-14)9-3-4-10-18/h1-2,5-6,14,16,19H,3-4,7-13H2.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102897194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).