3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine

C12H25N3S — CID 135934621

IUPAC3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H25N3S/c1-5-15(6-2)9-7-8-13-11-14-12(3,4)10-16-11/h5-10H2,1-4H3,(H,13,14)
InChIKeyOGEJWTPHNLJPNA-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.19
Rot. Bonds6

About 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine

3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine (PubChem CID 135934621) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine
PubChem CID135934621
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H25N3S/c1-5-15(6-2)9-7-8-13-11-14-12(3,4)10-16-11/h5-10H2,1-4H3,(H,13,14)
InChIKeyOGEJWTPHNLJPNA-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine (CID 135934621) is 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine is CCN(CC)CCC/N=C1/NC(C)(C)CS1.
What is the InChIKey of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine?
The InChIKey is OGEJWTPHNLJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-5-15(6-2)9-7-8-13-11-14-12(3,4)10-16-11/h5-10H2,1-4H3,(H,13,14).
What are the key properties of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine?
3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 135934621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).