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

C13H27N3S — CID 135995709

IUPAC2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine
SMILESCC(C)CC(CN(C)C)/N=C1/NC(C)(C)CS1
InChIInChI=1S/C13H27N3S/c1-10(2)7-11(8-16(5)6)14-12-15-13(3,4)9-17-12/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyOHRKOZPRFFOGGE-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.43
Rot. Bonds5

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

2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine (PubChem CID 135995709) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine
PubChem CID135995709
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine
SMILESCC(C)CC(CN(C)C)/N=C1/NC(C)(C)CS1
InChIInChI=1S/C13H27N3S/c1-10(2)7-11(8-16(5)6)14-12-15-13(3,4)9-17-12/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyOHRKOZPRFFOGGE-UHFFFAOYSA-N
XLogP2.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine?
The IUPAC name of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine (CID 135995709) is 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine is CC(C)CC(CN(C)C)/N=C1/NC(C)(C)CS1.
What is the InChIKey of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine?
The InChIKey is OHRKOZPRFFOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-10(2)7-11(8-16(5)6)14-12-15-13(3,4)9-17-12/h10-11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine?
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine has a molecular weight of 257.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 135995709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).