7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane

C14H28N2 — CID 118001208

IUPAC7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCCN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-5-15-10-8-14(11-15)7-6-9-16(12-14)13(2,3)4/h5-12H2,1-4H3
InChIKeyQDZDZFDROHKDJT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds1

About 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane

7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane (PubChem CID 118001208) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
PubChem CID118001208
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCCN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-5-15-10-8-14(11-15)7-6-9-16(12-14)13(2,3)4/h5-12H2,1-4H3
InChIKeyQDZDZFDROHKDJT-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane (CID 118001208) is 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane is CCN1CCC2(CCCN(C(C)(C)C)C2)C1.
What is the InChIKey of 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane?
The InChIKey is QDZDZFDROHKDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-15-10-8-14(11-15)7-6-9-16(12-14)13(2,3)4/h5-12H2,1-4H3.
What are the key properties of 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane?
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane has a molecular weight of 224.39 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118001208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).