5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane

C34H66N4 — CID 159535028

IUPAC5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane
SMILESCC1CCN(C(C)(C)C)C12CC2.CC1CN(C(C)(C)C)CC12CC2.CCNC1CN(C(C)(C)C)CC12CC2
InChIInChI=1S/C12H24N2.2C11H21N/c1-5-13-10-8-14(11(2,3)4)9-12(10)6-7-12;1-9-5-8-12(10(2,3)4)11(9)6-7-11;1-9-7-12(10(2,3)4)8-11(9)5-6-11/h10,13H,5-9H2,1-4H3;2*9H,5-8H2,1-4H3
InChIKeyMDMDDZUTODAMNE-UHFFFAOYSA-N
MW530.93 g/mol
LogP7.03
Rot. Bonds2

About 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane

5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane (PubChem CID 159535028) has the molecular formula C34H66N4 and a molecular weight of 530.93 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane
PubChem CID159535028
Molecular FormulaC34H66N4
Molecular Weight530.93 g/mol
Exact Mass530.53
IUPAC Name5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane
SMILESCC1CCN(C(C)(C)C)C12CC2.CC1CN(C(C)(C)C)CC12CC2.CCNC1CN(C(C)(C)C)CC12CC2
InChIInChI=1S/C12H24N2.2C11H21N/c1-5-13-10-8-14(11(2,3)4)9-12(10)6-7-12;1-9-5-8-12(10(2,3)4)11(9)6-7-11;1-9-7-12(10(2,3)4)8-11(9)5-6-11/h10,13H,5-9H2,1-4H3;2*9H,5-8H2,1-4H3
InChIKeyMDMDDZUTODAMNE-UHFFFAOYSA-N
XLogP7.03
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.93
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane (CID 159535028) is 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane is CC1CCN(C(C)(C)C)C12CC2.CC1CN(C(C)(C)C)CC12CC2.CCNC1CN(C(C)(C)C)CC12CC2.
What is the InChIKey of 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane?
The InChIKey is MDMDDZUTODAMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C11H21N/c1-5-13-10-8-14(11(2,3)4)9-12(10)6-7-12;1-9-5-8-12(10(2,3)4)11(9)6-7-11;1-9-7-12(10(2,3)4)8-11(9)5-6-11/h10,13H,5-9H2,1-4H3;2*9H,5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane?
5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane has a molecular weight of 530.93 g/mol, XLogP of 7.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 159535028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).