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

C15H29N3OS — CID 103967864

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H29N3OS/c1-18(10-11-19-2)9-8-16-14-17-12-15(13-20-14)6-4-3-5-7-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyNMDZEXMQYAAQIH-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.21
Rot. Bonds6

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

N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine (PubChem CID 103967864) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
PubChem CID103967864
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H29N3OS/c1-18(10-11-19-2)9-8-16-14-17-12-15(13-20-14)6-4-3-5-7-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyNMDZEXMQYAAQIH-UHFFFAOYSA-N
XLogP2.21
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967901
N-[2-(2,2-difluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105916897
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
CID 103967549
N',N'-diethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
CID 103967553
N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967571
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967659
N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967664
N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967748
N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967799
N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967803

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine (CID 103967864) is N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine is COCCN(C)CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
The InChIKey is NMDZEXMQYAAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-18(10-11-19-2)9-8-16-14-17-12-15(13-20-14)6-4-3-5-7-15/h3-13H2,1-2H3,(H,16,17).
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine has a molecular weight of 299.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 103967864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).