6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H31N3 — CID 79496601

IUPAC6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCCC2C(C)(C)C
InChIInChI=1S/C16H31N3/c1-12(2)10-19-14(17)18-11-16(19)9-7-6-8-13(16)15(3,4)5/h12-13H,6-11H2,1-5H3,(H2,17,18)
InChIKeyLHUGIIUYEDSSQQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.25
Rot. Bonds2

About 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496601) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496601
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCCC2C(C)(C)C
InChIInChI=1S/C16H31N3/c1-12(2)10-19-14(17)18-11-16(19)9-7-6-8-13(16)15(3,4)5/h12-13H,6-11H2,1-5H3,(H2,17,18)
InChIKeyLHUGIIUYEDSSQQ-UHFFFAOYSA-N
XLogP3.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79496601) is 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCCCC2C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is LHUGIIUYEDSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12(2)10-19-14(17)18-11-16(19)9-7-6-8-13(16)15(3,4)5/h12-13H,6-11H2,1-5H3,(H2,17,18).
What are the key properties of 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).