N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine

C13H25N3S — CID 103967549

IUPACN',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
SMILESCN(C)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H25N3S/c1-16(2)9-8-14-12-15-10-13(11-17-12)6-4-3-5-7-13/h3-11H2,1-2H3,(H,14,15)
InChIKeyROWJOJJAVWTHFX-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds3

About N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine (PubChem CID 103967549) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
PubChem CID103967549
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
SMILESCN(C)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H25N3S/c1-16(2)9-8-14-12-15-10-13(11-17-12)6-4-3-5-7-13/h3-11H2,1-2H3,(H,14,15)
InChIKeyROWJOJJAVWTHFX-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

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Related Compounds

Ethyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 90671457
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967876
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968009
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-[2-(trifluoromethylsulfanyl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106431809
N-(cyclohexylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43371631
N-[(4-ethylcyclohexyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61860444
N-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63243592
N-[2-(4-methylcyclohexyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 64227186
N-[2-(3-methylcyclohexyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 64229330

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine (CID 103967549) is N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine is CN(C)CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The InChIKey is ROWJOJJAVWTHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-16(2)9-8-14-12-15-10-13(11-17-12)6-4-3-5-7-13/h3-11H2,1-2H3,(H,14,15).
What are the key properties of N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-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 N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 103967549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).