9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H27N3S — CID 79501015

IUPAC9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCC(C(C)C)C2(CN=C(N)N2Cc2cccs2)C1
InChIInChI=1S/C17H27N3S/c1-12(2)15-7-6-13(3)9-17(15)11-19-16(18)20(17)10-14-5-4-8-21-14/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3,(H2,18,19)
InChIKeyOOBSMPGPDNAOJD-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.71
Rot. Bonds3

About 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79501015) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79501015
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCC(C(C)C)C2(CN=C(N)N2Cc2cccs2)C1
InChIInChI=1S/C17H27N3S/c1-12(2)15-7-6-13(3)9-17(15)11-19-16(18)20(17)10-14-5-4-8-21-14/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3,(H2,18,19)
InChIKeyOOBSMPGPDNAOJD-UHFFFAOYSA-N
XLogP3.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874991
5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79521836
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
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 114835173
1-(4-fluorophenyl)-6,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505590
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
3-propan-2-yl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939527

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79501015) is 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CCC(C(C)C)C2(CN=C(N)N2Cc2cccs2)C1.
What is the InChIKey of 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is OOBSMPGPDNAOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-12(2)15-7-6-13(3)9-17(15)11-19-16(18)20(17)10-14-5-4-8-21-14/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3,(H2,18,19).
What are the key properties of 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 305.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79501015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).