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

C16H32N4 — CID 79497842

IUPAC6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCCCC2C(C)(C)C
InChIInChI=1S/C16H32N4/c1-15(2,3)13-8-6-7-9-16(13)12-18-14(17)20(16)11-10-19(4)5/h13H,6-12H2,1-5H3,(H2,17,18)
InChIKeyWBRZNJRUNKETQV-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.15
Rot. Bonds3

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

6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497842) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497842
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCCCC2C(C)(C)C
InChIInChI=1S/C16H32N4/c1-15(2,3)13-8-6-7-9-16(13)12-18-14(17)20(16)11-10-19(4)5/h13H,6-12H2,1-5H3,(H2,17,18)
InChIKeyWBRZNJRUNKETQV-UHFFFAOYSA-N
XLogP2.15
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497842) is 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine is CN(C)CCN1C(N)=NCC12CCCCC2C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is WBRZNJRUNKETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-15(2,3)13-8-6-7-9-16(13)12-18-14(17)20(16)11-10-19(4)5/h13H,6-12H2,1-5H3,(H2,17,18).
What are the key properties of 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine?
6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 280.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).