1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine

C13H25N3S — CID 82949668

IUPAC1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
SMILESCC(CN(C)C)NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H25N3S/c1-11(8-16(2)3)15-12-14-9-13(10-17-12)6-4-5-7-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyPAWFUPUDADLXEW-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds3

About 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine (PubChem CID 82949668) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
PubChem CID82949668
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
SMILESCC(CN(C)C)NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H25N3S/c1-11(8-16(2)3)15-12-14-9-13(10-17-12)6-4-5-7-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyPAWFUPUDADLXEW-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine with MolForge

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Related Compounds

N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 130504493
N-butan-2-yl-1-thia-3-azaspiro[4.4]non-2-en-2-amine
CID 67280734
N-(cyclopentylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43371239
1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine
CID 54958396
N-(1-ethylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54959150
2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 54968181
N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61246521
N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61251726
4-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61499906
2-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61512488
2-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61512525

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine (CID 82949668) is 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine is CC(CN(C)C)NC1=NCC2(CCCC2)CS1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
The InChIKey is PAWFUPUDADLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-11(8-16(2)3)15-12-14-9-13(10-17-12)6-4-5-7-13/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine is sourced from PubChem (CID 82949668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).