2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine

C18H25NO — CID 79908074

IUPAC2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(C2CCOC3(CCC3)C2)CCc2ccccc2C1
InChIInChI=1S/C18H25NO/c19-18(10-6-14-4-1-2-5-15(14)12-18)16-7-11-20-17(13-16)8-3-9-17/h1-2,4-5,16H,3,6-13,19H2
InChIKeyKXZQFWXAJYMPMG-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.22
Rot. Bonds1

About 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine

2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 79908074) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID79908074
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(C2CCOC3(CCC3)C2)CCc2ccccc2C1
InChIInChI=1S/C18H25NO/c19-18(10-6-14-4-1-2-5-15(14)12-18)16-7-11-20-17(13-16)8-3-9-17/h1-2,4-5,16H,3,6-13,19H2
InChIKeyKXZQFWXAJYMPMG-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79907813
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
CID 86182652
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
CID 79913343
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450145
1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine
CID 114456497
3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79910801
2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79909189

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 79908074) is 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine is NC1(C2CCOC3(CCC3)C2)CCc2ccccc2C1.
What is the InChIKey of 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is KXZQFWXAJYMPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c19-18(10-6-14-4-1-2-5-15(14)12-18)16-7-11-20-17(13-16)8-3-9-17/h1-2,4-5,16H,3,6-13,19H2.
What are the key properties of 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 79908074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).