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

C14H21N3OS — CID 106874991

IUPAC7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOC1CCCC2(CN=C(N)N2Cc2cccs2)C1
InChIInChI=1S/C14H21N3OS/c1-18-11-4-2-6-14(8-11)10-16-13(15)17(14)9-12-5-3-7-19-12/h3,5,7,11H,2,4,6,8-10H2,1H3,(H2,15,16)
InChIKeyFEYQPTAYLPOKDZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.21
Rot. Bonds3

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

7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 106874991) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID106874991
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOC1CCCC2(CN=C(N)N2Cc2cccs2)C1
InChIInChI=1S/C14H21N3OS/c1-18-11-4-2-6-14(8-11)10-16-13(15)17(14)9-12-5-3-7-19-12/h3,5,7,11H,2,4,6,8-10H2,1H3,(H2,15,16)
InChIKeyFEYQPTAYLPOKDZ-UHFFFAOYSA-N
XLogP2.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79521836
7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520782
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521396
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79500819
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
1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506331
5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 114835173
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 106874991) is 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is COC1CCCC2(CN=C(N)N2Cc2cccs2)C1.
What is the InChIKey of 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is FEYQPTAYLPOKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-18-11-4-2-6-14(8-11)10-16-13(15)17(14)9-12-5-3-7-19-12/h3,5,7,11H,2,4,6,8-10H2,1H3,(H2,15,16).
What are the key properties of 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 106874991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).