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

C14H27N3O — CID 79514520

IUPAC1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCOC(C(C)C)C2
InChIInChI=1S/C14H27N3O/c1-5-11(4)17-13(15)16-9-14(17)6-7-18-12(8-14)10(2)3/h10-12H,5-9H2,1-4H3,(H2,15,16)
InChIKeyKNBIEEGALTYYMK-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.99
Rot. Bonds3

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

1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79514520) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79514520
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCOC(C(C)C)C2
InChIInChI=1S/C14H27N3O/c1-5-11(4)17-13(15)16-9-14(17)6-7-18-12(8-14)10(2)3/h10-12H,5-9H2,1-4H3,(H2,15,16)
InChIKeyKNBIEEGALTYYMK-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.99
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-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79514520) is 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC(C)N1C(N)=NCC12CCOC(C(C)C)C2.
What is the InChIKey of 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is KNBIEEGALTYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-11(4)17-13(15)16-9-14(17)6-7-18-12(8-14)10(2)3/h10-12H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-butan-2-yl-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 253.39 g/mol, XLogP of 1.99, 3 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-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79514520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).