1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H27N3 — CID 79514290

IUPAC1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CCC2(CC1)CN=C(N)N2C(C)CC
InChIInChI=1S/C14H27N3/c1-4-11(3)17-13(15)16-10-14(17)8-6-12(5-2)7-9-14/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyYXQTWFDQASNTPX-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.75
Rot. Bonds3

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

1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79514290) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79514290
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CCC2(CC1)CN=C(N)N2C(C)CC
InChIInChI=1S/C14H27N3/c1-4-11(3)17-13(15)16-10-14(17)8-6-12(5-2)7-9-14/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyYXQTWFDQASNTPX-UHFFFAOYSA-N
XLogP2.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79514290) is 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1CCC2(CC1)CN=C(N)N2C(C)CC.
What is the InChIKey of 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is YXQTWFDQASNTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-11(3)17-13(15)16-10-14(17)8-6-12(5-2)7-9-14/h11-12H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79514290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).