1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C10H19N3S — CID 79505770

IUPAC1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCSC2
InChIInChI=1S/C10H19N3S/c1-3-8(2)13-9(11)12-6-10(13)4-5-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeySMBUDMJKMIFJCT-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.29
Rot. Bonds2

About 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79505770) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79505770
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCSC2
InChIInChI=1S/C10H19N3S/c1-3-8(2)13-9(11)12-6-10(13)4-5-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeySMBUDMJKMIFJCT-UHFFFAOYSA-N
XLogP1.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.29
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-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79505770) is 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CCC(C)N1C(N)=NCC12CCSC2.
What is the InChIKey of 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is SMBUDMJKMIFJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-8(2)13-9(11)12-6-10(13)4-5-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.29, 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-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79505770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).