7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C12H23N3O — CID 79498076

IUPAC7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCOC(C)C2
InChIInChI=1S/C12H23N3O/c1-9(2)7-15-11(13)14-8-12(15)4-5-16-10(3)6-12/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyBWQSVXTZRJGKEY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.21
Rot. Bonds2

About 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498076) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498076
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCOC(C)C2
InChIInChI=1S/C12H23N3O/c1-9(2)7-15-11(13)14-8-12(15)4-5-16-10(3)6-12/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyBWQSVXTZRJGKEY-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498076) is 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCOC(C)C2.
What is the InChIKey of 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is BWQSVXTZRJGKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)7-15-11(13)14-8-12(15)4-5-16-10(3)6-12/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).