(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane

C14H27NO2 — CID 130397202

IUPAC(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
SMILESCC1CC(C)OC2(C[C@@H](C)N(C(C)(C)C)C2)O1
InChIInChI=1S/C14H27NO2/c1-10-8-14(9-15(10)13(4,5)6)16-11(2)7-12(3)17-14/h10-12H,7-9H2,1-6H3/t10-,11?,12?,14?/m1/s1
InChIKeyHHGRITLYAZZZSK-YAJDGLSUSA-N
MW241.37 g/mol
LogP2.79
Rot. Bonds

About (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane

(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane (PubChem CID 130397202) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
PubChem CID130397202
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
SMILESCC1CC(C)OC2(C[C@@H](C)N(C(C)(C)C)C2)O1
InChIInChI=1S/C14H27NO2/c1-10-8-14(9-15(10)13(4,5)6)16-11(2)7-12(3)17-14/h10-12H,7-9H2,1-6H3/t10-,11?,12?,14?/m1/s1
InChIKeyHHGRITLYAZZZSK-YAJDGLSUSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-2,3,7,9-tetramethyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 130401910
6-tert-butyl-2,7-dimethyl-2,6-diazaspiro[3.4]octane
CID 168820419
[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine
CID 147072230
(5R)-4-tert-butyl-2,2,5-trimethylmorpholine
CID 168820806
4-tert-butyl-3,6,6-trimethyl-1,4-oxazepane
CID 155000461
1-tert-butyl-2-methylaziridine
CID 15557486
(2S)-1-tert-butyl-4,4-difluoro-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine
CID 159630663
(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 172515568
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 154287674
4,6-dimethyl-2,2-di(propan-2-yl)-1,3-dioxane
CID 70641039
(2R,4S)-1-tert-butyl-4-chloro-2-methylpyrrolidine
CID 153298890

Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The IUPAC name of (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane (CID 130397202) is (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The canonical SMILES for (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane is CC1CC(C)OC2(C[C@@H](C)N(C(C)(C)C)C2)O1.
What is the InChIKey of (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The InChIKey is HHGRITLYAZZZSK-YAJDGLSUSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-8-14(9-15(10)13(4,5)6)16-11(2)7-12(3)17-14/h10-12H,7-9H2,1-6H3/t10-,11?,12?,14?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane has a molecular weight of 241.37 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 130397202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).