2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane

C13H26N2 — CID 170581950

IUPAC2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCCC(C)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C13H26N2/c1-4-12(2)15-10-7-13(11-15)5-8-14(3)9-6-13/h12H,4-11H2,1-3H3
InChIKeyTUHJPGNBXDDEOM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds2

About 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane

2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 170581950) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID170581950
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCCC(C)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C13H26N2/c1-4-12(2)15-10-7-13(11-15)5-8-14(3)9-6-13/h12H,4-11H2,1-3H3
InChIKeyTUHJPGNBXDDEOM-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane (CID 170581950) is 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane is CCC(C)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is TUHJPGNBXDDEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-12(2)15-10-7-13(11-15)5-8-14(3)9-6-13/h12H,4-11H2,1-3H3.
What are the key properties of 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane?
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 210.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 170581950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).