(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane

C13H25N — CID 121382412

IUPAC(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
SMILESCC(C)[C@@H]1CC[C@]2(CCCCNC2)C1
InChIInChI=1S/C13H25N/c1-11(2)12-5-7-13(9-12)6-3-4-8-14-10-13/h11-12,14H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyHMIRNQVLYYDVBE-CHWSQXEVSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds1

About (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane

(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane (PubChem CID 121382412) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane.

Molecular Properties

Compound Name(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
PubChem CID121382412
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
SMILESCC(C)[C@@H]1CC[C@]2(CCCCNC2)C1
InChIInChI=1S/C13H25N/c1-11(2)12-5-7-13(9-12)6-3-4-8-14-10-13/h11-12,14H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyHMIRNQVLYYDVBE-CHWSQXEVSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane?
The IUPAC name of (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane (CID 121382412) is (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane.
What is the SMILES notation for (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane?
The canonical SMILES for (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane is CC(C)[C@@H]1CC[C@]2(CCCCNC2)C1.
What is the InChIKey of (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane?
The InChIKey is HMIRNQVLYYDVBE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)12-5-7-13(9-12)6-3-4-8-14-10-13/h11-12,14H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane?
(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane has a molecular weight of 195.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane is sourced from PubChem (CID 121382412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).