N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine

C12H25N3S — CID 135934622

IUPACN,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
SMILESCCC1CS/C(=N\CCCN(CC)CC)N1
InChIInChI=1S/C12H25N3S/c1-4-11-10-16-12(14-11)13-8-7-9-15(5-2)6-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyVRDQXOLDOSWDRQ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.19
Rot. Bonds7

About N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine

N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine (PubChem CID 135934622) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
PubChem CID135934622
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
SMILESCCC1CS/C(=N\CCCN(CC)CC)N1
InChIInChI=1S/C12H25N3S/c1-4-11-10-16-12(14-11)13-8-7-9-15(5-2)6-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyVRDQXOLDOSWDRQ-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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 N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine (CID 135934622) is N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine is CCC1CS/C(=N\CCCN(CC)CC)N1.
What is the InChIKey of N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine?
The InChIKey is VRDQXOLDOSWDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-4-11-10-16-12(14-11)13-8-7-9-15(5-2)6-3/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine?
N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine is sourced from PubChem (CID 135934622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).