1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H31N3 — CID 103961626

IUPAC1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H31N3/c1-7-12(2)19-13(17)18-11-16(19)9-14(3,4)8-15(5,6)10-16/h12H,7-11H2,1-6H3,(H2,17,18)
InChIKeyJRSXCCBAMZPJBN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.39
Rot. Bonds2

About 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 103961626) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID103961626
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H31N3/c1-7-12(2)19-13(17)18-11-16(19)9-14(3,4)8-15(5,6)10-16/h12H,7-11H2,1-6H3,(H2,17,18)
InChIKeyJRSXCCBAMZPJBN-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 103961626) is 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC(C)N1C(N)=NCC12CC(C)(C)CC(C)(C)C2.
What is the InChIKey of 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is JRSXCCBAMZPJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-7-12(2)19-13(17)18-11-16(19)9-14(3,4)8-15(5,6)10-16/h12H,7-11H2,1-6H3,(H2,17,18).
What are the key properties of 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 103961626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).