(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene

C12H21N — CID 101038175

IUPAC(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene
SMILESCC[C@@H]1CCC2(C=N1)CCCCC2
InChIInChI=1S/C12H21N/c1-2-11-6-9-12(10-13-11)7-4-3-5-8-12/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeySYTVRUZQJYVPFP-LLVKDONJSA-N
MW179.31 g/mol
LogP3.58
Rot. Bonds1

About (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene

(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene (PubChem CID 101038175) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene.

Molecular Properties

Compound Name(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene
PubChem CID101038175
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene
SMILESCC[C@@H]1CCC2(C=N1)CCCCC2
InChIInChI=1S/C12H21N/c1-2-11-6-9-12(10-13-11)7-4-3-5-8-12/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeySYTVRUZQJYVPFP-LLVKDONJSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene?
The IUPAC name of (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene (CID 101038175) is (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene.
What is the SMILES notation for (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene?
The canonical SMILES for (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene is CC[C@@H]1CCC2(C=N1)CCCCC2.
What is the InChIKey of (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene?
The InChIKey is SYTVRUZQJYVPFP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N/c1-2-11-6-9-12(10-13-11)7-4-3-5-8-12/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene?
(3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene has a molecular weight of 179.31 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-azaspiro[5.5]undec-1-ene is sourced from PubChem (CID 101038175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).