(4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane

C10H20N2O — CID 171423008

IUPAC(4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane
SMILESCC(C)N1CCOC[C@]2(CCN2)C1
InChIInChI=1S/C10H20N2O/c1-9(2)12-5-6-13-8-10(7-12)3-4-11-10/h9,11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWPHANDYHSMFYGF-JTQLQIEISA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds1

About (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane

(4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane (PubChem CID 171423008) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane.

Molecular Properties

Compound Name(4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane
PubChem CID171423008
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane
SMILESCC(C)N1CCOC[C@]2(CCN2)C1
InChIInChI=1S/C10H20N2O/c1-9(2)12-5-6-13-8-10(7-12)3-4-11-10/h9,11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWPHANDYHSMFYGF-JTQLQIEISA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane?
The IUPAC name of (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane (CID 171423008) is (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane.
What is the SMILES notation for (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane?
The canonical SMILES for (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane is CC(C)N1CCOC[C@]2(CCN2)C1.
What is the InChIKey of (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane?
The InChIKey is WPHANDYHSMFYGF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)12-5-6-13-8-10(7-12)3-4-11-10/h9,11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane?
(4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane has a molecular weight of 184.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-propan-2-yl-9-oxa-1,6-diazaspiro[3.6]decane is sourced from PubChem (CID 171423008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).