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

C15H29N3S — CID 103967553

IUPACN',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H29N3S/c1-3-18(4-2)11-10-16-14-17-12-15(13-19-14)8-6-5-7-9-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyINGIPOZXJBAYCY-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.97
Rot. Bonds5

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

N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine (PubChem CID 103967553) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
PubChem CID103967553
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H29N3S/c1-3-18(4-2)11-10-16-14-17-12-15(13-19-14)8-6-5-7-9-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyINGIPOZXJBAYCY-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 64393153
N-(4,4-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034894
N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036487
N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79870111
N-(2,2-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79871978
N-(2,2-dimethylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 80322143
N-(3,3-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81568762
N-(3,3-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81569287
N-(3-methyl-2-propan-2-ylbutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 102906886
N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967531
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine (CID 103967553) is N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine is CCN(CC)CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The InChIKey is INGIPOZXJBAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-3-18(4-2)11-10-16-14-17-12-15(13-19-14)8-6-5-7-9-15/h3-13H2,1-2H3,(H,16,17).
What are the key properties of N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine has a molecular weight of 283.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 103967553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).