(7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine

C12H24N2 — CID 155174510

IUPAC(7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine
SMILESCN(C)[C@H]1CN(C(C)(C)C)CC12CC2
InChIInChI=1S/C12H24N2/c1-11(2,3)14-8-10(13(4)5)12(9-14)6-7-12/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyXYUFYPCFYPPNTJ-JTQLQIEISA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds1

About (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine

(7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine (PubChem CID 155174510) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name(7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine
PubChem CID155174510
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine
SMILESCN(C)[C@H]1CN(C(C)(C)C)CC12CC2
InChIInChI=1S/C12H24N2/c1-11(2,3)14-8-10(13(4)5)12(9-14)6-7-12/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyXYUFYPCFYPPNTJ-JTQLQIEISA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine (CID 155174510) is (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine is CN(C)[C@H]1CN(C(C)(C)C)CC12CC2.
What is the InChIKey of (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is XYUFYPCFYPPNTJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)14-8-10(13(4)5)12(9-14)6-7-12/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
(7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 196.34 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-tert-butyl-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 155174510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).