8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H27N3O — CID 79505036

IUPAC8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CCC2(CC1)CN=C(N)N2CC1CCCO1
InChIInChI=1S/C15H27N3O/c1-14(2)5-7-15(8-6-14)11-17-13(16)18(15)10-12-4-3-9-19-12/h12H,3-11H2,1-2H3,(H2,16,17)
InChIKeyXDCZNVQDYHSDSK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.13
Rot. Bonds2

About 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505036) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505036
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CCC2(CC1)CN=C(N)N2CC1CCCO1
InChIInChI=1S/C15H27N3O/c1-14(2)5-7-15(8-6-14)11-17-13(16)18(15)10-12-4-3-9-19-12/h12H,3-11H2,1-2H3,(H2,16,17)
InChIKeyXDCZNVQDYHSDSK-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505036) is 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1(C)CCC2(CC1)CN=C(N)N2CC1CCCO1.
What is the InChIKey of 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is XDCZNVQDYHSDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2)5-7-15(8-6-14)11-17-13(16)18(15)10-12-4-3-9-19-12/h12H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).