1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C10H19N3S — CID 79498230

IUPAC1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCSC2
InChIInChI=1S/C10H19N3S/c1-8(2)5-13-9(11)12-6-10(13)3-4-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyTYXWJDNHHPZQLZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.15
Rot. Bonds2

About 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79498230) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79498230
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCSC2
InChIInChI=1S/C10H19N3S/c1-8(2)5-13-9(11)12-6-10(13)3-4-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyTYXWJDNHHPZQLZ-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 62361880
1-Methyl-2-(2-methylpropyl)-1-(thiolan-3-yl)guanidine
CID 62361881
7,7-Dioxo-1-propan-2-yl-7lambda6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79497044
1-[2-(Dimethylamino)ethyl]-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497060
5-(2-Methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79497240
1-(2-Methylpropyl)-7,7-dioxo-7lambda6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79497310
1-[2-(Dimethylamino)ethyl]-7,7-dioxo-7lambda6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79497824
1-(2-Methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79498064
1-(2-Methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498235
1-(2-Methylpropyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498244
1-Propan-2-yl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498284
1-Propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498660

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79498230) is 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CC(C)CN1C(N)=NCC12CCSC2.
What is the InChIKey of 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is TYXWJDNHHPZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)5-13-9(11)12-6-10(13)3-4-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79498230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).