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

C10H19N3O — CID 79509781

IUPAC7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2
InChIInChI=1S/C10H19N3O/c1-7(2)8-5-10(3-4-14-8)6-12-9(11)13-10/h7-8H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyGRGNVDQCQNKHFI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.48
Rot. Bonds1

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

7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79509781) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79509781
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2
InChIInChI=1S/C10H19N3O/c1-7(2)8-5-10(3-4-14-8)6-12-9(11)13-10/h7-8H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyGRGNVDQCQNKHFI-UHFFFAOYSA-N
XLogP0.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79509781) is 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)C1CC2(CCO1)CN=C(N)N2.
What is the InChIKey of 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is GRGNVDQCQNKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)8-5-10(3-4-14-8)6-12-9(11)13-10/h7-8H,3-6H2,1-2H3,(H3,11,12,13).
What are the key properties of 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79509781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).