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

C9H17NO2 — CID 51382709

IUPAC[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
SMILESNC[C@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C9H17NO2/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8H,1-7,10H2/t8-/m0/s1
InChIKeyLQCUYCCICRWMAO-QMMMGPOBSA-N
MW171.24 g/mol
LogP0.88
Rot. Bonds1

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

[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine (PubChem CID 51382709) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine.

Molecular Properties

Compound Name[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
PubChem CID51382709
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
SMILESNC[C@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C9H17NO2/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8H,1-7,10H2/t8-/m0/s1
InChIKeyLQCUYCCICRWMAO-QMMMGPOBSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
The IUPAC name of [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine (CID 51382709) is [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine.
What is the SMILES notation for [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
The canonical SMILES for [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine is NC[C@H]1CCCC2(C1)OCCO2.
What is the InChIKey of [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
The InChIKey is LQCUYCCICRWMAO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8H,1-7,10H2/t8-/m0/s1.
What are the key properties of [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine?
[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine has a molecular weight of 171.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-1,4-dioxaspiro[4.5]decan-7-yl]methanamine is sourced from PubChem (CID 51382709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).