1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C11H21N3O — CID 79510482

IUPAC1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2C
InChIInChI=1S/C11H21N3O/c1-8(2)9-6-11(4-5-15-9)7-13-10(12)14(11)3/h8-9H,4-7H2,1-3H3,(H2,12,13)
InChIKeyWLIFDOSBAJVHOT-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.82
Rot. Bonds1

About 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79510482) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79510482
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2C
InChIInChI=1S/C11H21N3O/c1-8(2)9-6-11(4-5-15-9)7-13-10(12)14(11)3/h8-9H,4-7H2,1-3H3,(H2,12,13)
InChIKeyWLIFDOSBAJVHOT-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79510482) is 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)C1CC2(CCO1)CN=C(N)N2C.
What is the InChIKey of 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is WLIFDOSBAJVHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)9-6-11(4-5-15-9)7-13-10(12)14(11)3/h8-9H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 211.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79510482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).