1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H29N3 — CID 79509613

IUPAC1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN1C(N)=NCC12CCC(C(C)(C)CC)CC2
InChIInChI=1S/C15H29N3/c1-5-14(3,4)12-7-9-15(10-8-12)11-17-13(16)18(15)6-2/h12H,5-11H2,1-4H3,(H2,16,17)
InChIKeyQGHXJWGJMGZOPO-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.00
Rot. Bonds3

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

1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79509613) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79509613
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN1C(N)=NCC12CCC(C(C)(C)CC)CC2
InChIInChI=1S/C15H29N3/c1-5-14(3,4)12-7-9-15(10-8-12)11-17-13(16)18(15)6-2/h12H,5-11H2,1-4H3,(H2,16,17)
InChIKeyQGHXJWGJMGZOPO-UHFFFAOYSA-N
XLogP3.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79509613) is 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCN1C(N)=NCC12CCC(C(C)(C)CC)CC2.
What is the InChIKey of 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is QGHXJWGJMGZOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-14(3,4)12-7-9-15(10-8-12)11-17-13(16)18(15)6-2/h12H,5-11H2,1-4H3,(H2,16,17).
What are the key properties of 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79509613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).