[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine

C15H21NO2 — CID 129395694

IUPAC[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
SMILESNC[C@]1(c2ccccc2)CCCC2(C1)OCCO2
InChIInChI=1S/C15H21NO2/c16-12-14(13-5-2-1-3-6-13)7-4-8-15(11-14)17-9-10-18-15/h1-3,5-6H,4,7-12,16H2/t14-/m0/s1
InChIKeyLMJFAXJCZHHOSP-AWEZNQCLSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds2

About [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine

[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine (PubChem CID 129395694) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine.

Molecular Properties

Compound Name[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
PubChem CID129395694
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
SMILESNC[C@]1(c2ccccc2)CCCC2(C1)OCCO2
InChIInChI=1S/C15H21NO2/c16-12-14(13-5-2-1-3-6-13)7-4-8-15(11-14)17-9-10-18-15/h1-3,5-6H,4,7-12,16H2/t14-/m0/s1
InChIKeyLMJFAXJCZHHOSP-AWEZNQCLSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966
2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
CID 126480378
2-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 155970926
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
[1-(4-phenylphenyl)cyclopropyl]methanamine
CID 82287223
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol
CID 156775345
[1-(iodomethyl)cyclopentyl]benzene
CID 19966123
(3-phenyloxan-3-yl)methanol
CID 168870348
1-phenylcyclopropane-1-carbonitrile;(1-phenylcyclopropyl)methanamine
CID 161485894
2-(2-phenyloxolan-2-yl)ethanamine
CID 155858303

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
The IUPAC name of [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine (CID 129395694) is [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine.
What is the SMILES notation for [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
The canonical SMILES for [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine is NC[C@]1(c2ccccc2)CCCC2(C1)OCCO2.
What is the InChIKey of [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
The InChIKey is LMJFAXJCZHHOSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c16-12-14(13-5-2-1-3-6-13)7-4-8-15(11-14)17-9-10-18-15/h1-3,5-6H,4,7-12,16H2/t14-/m0/s1.
What are the key properties of [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine is sourced from PubChem (CID 129395694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).