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

C12H23N3O — CID 79514972

IUPAC1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCOC(C)C2
InChIInChI=1S/C12H23N3O/c1-4-9(2)15-11(13)14-8-12(15)5-6-16-10(3)7-12/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyICEXTKIRHSNCHC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds2

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

1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79514972) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79514972
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCOC(C)C2
InChIInChI=1S/C12H23N3O/c1-4-9(2)15-11(13)14-8-12(15)5-6-16-10(3)7-12/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyICEXTKIRHSNCHC-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79514972) is 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC(C)N1C(N)=NCC12CCOC(C)C2.
What is the InChIKey of 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is ICEXTKIRHSNCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-9(2)15-11(13)14-8-12(15)5-6-16-10(3)7-12/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79514972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).