N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine

C12H25N3OS — CID 136896920

IUPACN,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
SMILESCC(C)C1CS/C(=N\CCOCCN(C)C)N1
InChIInChI=1S/C12H25N3OS/c1-10(2)11-9-17-12(14-11)13-5-7-16-8-6-15(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyKYODKRMZSRUSPF-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.28
Rot. Bonds7

About N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine

N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine (PubChem CID 136896920) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
PubChem CID136896920
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
SMILESCC(C)C1CS/C(=N\CCOCCN(C)C)N1
InChIInChI=1S/C12H25N3OS/c1-10(2)11-9-17-12(14-11)13-5-7-16-8-6-15(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyKYODKRMZSRUSPF-UHFFFAOYSA-N
XLogP1.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871727
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136666952
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672
2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136871645
N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136952014
N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine
CID 136896914
N-[2-(3-methylbutoxy)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993499
N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137017282

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine (CID 136896920) is N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine is CC(C)C1CS/C(=N\CCOCCN(C)C)N1.
What is the InChIKey of N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine?
The InChIKey is KYODKRMZSRUSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-10(2)11-9-17-12(14-11)13-5-7-16-8-6-15(3)4/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine?
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine has a molecular weight of 259.42 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine is sourced from PubChem (CID 136896920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).