(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane

C12H23N — CID 121382404

IUPAC(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
SMILESCC(C)[C@H]1CCCC[C@]12CCCN2
InChIInChI=1S/C12H23N/c1-10(2)11-6-3-4-7-12(11)8-5-9-13-12/h10-11,13H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyPWYOIUCJXGNRTB-NEPJUHHUSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds1

About (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane

(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane (PubChem CID 121382404) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
PubChem CID121382404
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
SMILESCC(C)[C@H]1CCCC[C@]12CCCN2
InChIInChI=1S/C12H23N/c1-10(2)11-6-3-4-7-12(11)8-5-9-13-12/h10-11,13H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyPWYOIUCJXGNRTB-NEPJUHHUSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-propan-2-yl-1-azaspiro[4.6]undecane
CID 171423222
(6R)-11-methyl-1-azaspiro[5.5]undecane
CID 121388678
1-azaspiro[4.5]decan-6-amine
CID 118238299
9-propan-2-ylspiro[3.5]nonane
CID 140652255
(6R,11R)-1-azaspiro[5.5]undecan-11-ol
CID 131195990
ethane;(4R)-3-methyl-5-azaspiro[3.4]octane
CID 169125216
(6R,11S)-1-azaspiro[5.5]undecan-11-ol
CID 130985631
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
[1,2-di(propan-2-yl)cyclohexyl]phosphane
CID 66647929
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
(2R)-2-methyl-4-azaspiro[2.6]nonane
CID 118287952

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane?
The IUPAC name of (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane (CID 121382404) is (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane?
The canonical SMILES for (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane is CC(C)[C@H]1CCCC[C@]12CCCN2.
What is the InChIKey of (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane?
The InChIKey is PWYOIUCJXGNRTB-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11-6-3-4-7-12(11)8-5-9-13-12/h10-11,13H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane?
(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane has a molecular weight of 181.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane is sourced from PubChem (CID 121382404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).