(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane

C14H27NO2 — CID 122598537

IUPAC(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane
SMILESCC(C)[C@H]1CCOC[C@]12OC[C@@H](C)N2C(C)C
InChIInChI=1S/C14H27NO2/c1-10(2)13-6-7-16-9-14(13)15(11(3)4)12(5)8-17-14/h10-13H,6-9H2,1-5H3/t12-,13-,14+/m1/s1
InChIKeyZGAGNFNFUCDOJA-MCIONIFRSA-N
MW241.37 g/mol
LogP2.50
Rot. Bonds2

About (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane

(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane (PubChem CID 122598537) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane
PubChem CID122598537
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane
SMILESCC(C)[C@H]1CCOC[C@]12OC[C@@H](C)N2C(C)C
InChIInChI=1S/C14H27NO2/c1-10(2)13-6-7-16-9-14(13)15(11(3)4)12(5)8-17-14/h10-13H,6-9H2,1-5H3/t12-,13-,14+/m1/s1
InChIKeyZGAGNFNFUCDOJA-MCIONIFRSA-N
XLogP2.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-propan-2-yloxolane;ethane
CID 170792272
(5S,6R)-4,6-di(propan-2-yl)-1-oxa-4-azaspiro[4.5]decane
CID 122598488
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 155238981
(4R)-4-methyl-2,3-di(propan-2-yl)-1,3-oxazolidine
CID 134572943
3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine
CID 103497369
3,4-di(propan-2-yl)-1,3-oxazinane
CID 146614615
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
3-propan-2-yl-8-oxaspiro[5.6]dodecane
CID 176804271
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane?
The IUPAC name of (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane (CID 122598537) is (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane?
The canonical SMILES for (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane is CC(C)[C@H]1CCOC[C@]12OC[C@@H](C)N2C(C)C.
What is the InChIKey of (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane?
The InChIKey is ZGAGNFNFUCDOJA-MCIONIFRSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)13-6-7-16-9-14(13)15(11(3)4)12(5)8-17-14/h10-13H,6-9H2,1-5H3/t12-,13-,14+/m1/s1.
What are the key properties of (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane?
(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane has a molecular weight of 241.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 122598537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).