3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine

C18H25NO2 — CID 79910801

IUPAC3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(C1COc2ccccc2C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H25NO2/c19-17(14-6-9-21-18(11-14)7-3-8-18)15-10-13-4-1-2-5-16(13)20-12-15/h1-2,4-5,14-15,17H,3,6-12,19H2
InChIKeyPQBABVPAAOJEKG-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.91
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine

3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79910801) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79910801
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(C1COc2ccccc2C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H25NO2/c19-17(14-6-9-21-18(11-14)7-3-8-18)15-10-13-4-1-2-5-16(13)20-12-15/h1-2,4-5,14-15,17H,3,6-12,19H2
InChIKeyPQBABVPAAOJEKG-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79910009
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112802
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
[cyclohexyl(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233964
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
2,3-dihydro-1H-inden-2-yl(oxolan-3-yl)methanamine
CID 65411493

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79910801) is 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine is NC(C1COc2ccccc2C1)C1CCOC2(CCC2)C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is PQBABVPAAOJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c19-17(14-6-9-21-18(11-14)7-3-8-18)15-10-13-4-1-2-5-16(13)20-12-15/h1-2,4-5,14-15,17H,3,6-12,19H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 287.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79910801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).