(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane

C9H18N2O — CID 171423140

IUPAC(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CCO[C@@]2(CCN2)C1
InChIInChI=1S/C9H18N2O/c1-8(2)11-5-6-12-9(7-11)3-4-10-9/h8,10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyOUPSRSTUOHQXQD-VIFPVBQESA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds1

About (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane

(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane (PubChem CID 171423140) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane
PubChem CID171423140
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CCO[C@@]2(CCN2)C1
InChIInChI=1S/C9H18N2O/c1-8(2)11-5-6-12-9(7-11)3-4-10-9/h8,10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyOUPSRSTUOHQXQD-VIFPVBQESA-N
XLogP0.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
7-methyl-1-oxa-4,7-diazaspiro[4.4]nonane
CID 148915563
molecular hydrogen;8-propan-2-yl-1,8-diazaspiro[3.5]nonane
CID 170571753
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
CID 171748509
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane
CID 139359285
3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167602372
N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 158454849
N,N-dimethyl-9-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide;ethane
CID 168983702
3,3-dimethyl-1-propan-2-yl-1,4-diazocane
CID 117016451
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092

Frequently Asked Questions

What is the IUPAC name of (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane?
The IUPAC name of (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane (CID 171423140) is (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane.
What is the SMILES notation for (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane?
The canonical SMILES for (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane is CC(C)N1CCO[C@@]2(CCN2)C1.
What is the InChIKey of (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane?
The InChIKey is OUPSRSTUOHQXQD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)11-5-6-12-9(7-11)3-4-10-9/h8,10H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane?
(4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane has a molecular weight of 170.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-propan-2-yl-5-oxa-1,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 171423140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).