2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane

C15H30N2 — CID 120907644

IUPAC2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane
SMILESCCC(CC)(CC)CN1CCC2(CCNC2)C1
InChIInChI=1S/C15H30N2/c1-4-14(5-2,6-3)12-17-10-8-15(13-17)7-9-16-11-15/h16H,4-13H2,1-3H3
InChIKeyRWQWTFCJNUUWKU-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane

2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 120907644) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane
PubChem CID120907644
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane
SMILESCCC(CC)(CC)CN1CCC2(CCNC2)C1
InChIInChI=1S/C15H30N2/c1-4-14(5-2,6-3)12-17-10-8-15(13-17)7-9-16-11-15/h16H,4-13H2,1-3H3
InChIKeyRWQWTFCJNUUWKU-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane (CID 120907644) is 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane is CCC(CC)(CC)CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is RWQWTFCJNUUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-14(5-2,6-3)12-17-10-8-15(13-17)7-9-16-11-15/h16H,4-13H2,1-3H3.
What are the key properties of 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane?
2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 238.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120907644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).