N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C17H25NO — CID 79903292

IUPACN-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCCc1ccccc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO/c1-2-14-6-3-4-7-15(14)13-18-16-8-11-19-17(12-16)9-5-10-17/h3-4,6-7,16,18H,2,5,8-13H2,1H3
InChIKeyXVMLTLZYXSNDOU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903292) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903292
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCCc1ccccc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO/c1-2-14-6-3-4-7-15(14)13-18-16-8-11-19-17(12-16)9-5-10-17/h3-4,6-7,16,18H,2,5,8-13H2,1H3
InChIKeyXVMLTLZYXSNDOU-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895902
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79903292) is N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is CCc1ccccc1CNC1CCOC2(CCC2)C1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is XVMLTLZYXSNDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-14-6-3-4-7-15(14)13-18-16-8-11-19-17(12-16)9-5-10-17/h3-4,6-7,16,18H,2,5,8-13H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 259.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).