5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine

C13H25N3 — CID 103565697

IUPAC5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCCC(C)N1C(N)=NCC12CC(C(C)C)C2
InChIInChI=1S/C13H25N3/c1-5-10(4)16-12(14)15-8-13(16)6-11(7-13)9(2)3/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyCMFYNWZQYRQBTB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.22
Rot. Bonds3

About 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine

5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 103565697) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID103565697
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCCC(C)N1C(N)=NCC12CC(C(C)C)C2
InChIInChI=1S/C13H25N3/c1-5-10(4)16-12(14)15-8-13(16)6-11(7-13)9(2)3/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyCMFYNWZQYRQBTB-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 103565697) is 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine is CCC(C)N1C(N)=NCC12CC(C(C)C)C2.
What is the InChIKey of 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is CMFYNWZQYRQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-10(4)16-12(14)15-8-13(16)6-11(7-13)9(2)3/h9-11H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 223.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 103565697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).