7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H23N3S — CID 79520782

IUPAC7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)CC2(CN=C(N)N2Cc2cccs2)C1
InChIInChI=1S/C15H23N3S/c1-11-6-12(2)8-15(7-11)10-17-14(16)18(15)9-13-4-3-5-19-13/h3-5,11-12H,6-10H2,1-2H3,(H2,16,17)
InChIKeyDULAXHUDYVNNHB-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.07
Rot. Bonds2

About 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79520782) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79520782
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)CC2(CN=C(N)N2Cc2cccs2)C1
InChIInChI=1S/C15H23N3S/c1-11-6-12(2)8-15(7-11)10-17-14(16)18(15)9-13-4-3-5-19-13/h3-5,11-12H,6-10H2,1-2H3,(H2,16,17)
InChIKeyDULAXHUDYVNNHB-UHFFFAOYSA-N
XLogP3.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79521836
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521396
7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874991
9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501015
5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol
CID 107707886
5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521313
5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79500819
5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 114835173
1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505721
1-benzyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79957610
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506331

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79520782) is 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CC(C)CC2(CN=C(N)N2Cc2cccs2)C1.
What is the InChIKey of 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DULAXHUDYVNNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11-6-12(2)8-15(7-11)10-17-14(16)18(15)9-13-4-3-5-19-13/h3-5,11-12H,6-10H2,1-2H3,(H2,16,17).
What are the key properties of 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79520782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).