1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine

C12H25N3S — CID 136933263

IUPAC1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
SMILESCCC1CCS/C(=N\CC(C)(C)N(C)C)N1
InChIInChI=1S/C12H25N3S/c1-6-10-7-8-16-11(14-10)13-9-12(2,3)15(4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyKKLOKBASTTUXNP-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.19
Rot. Bonds4

About 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine

1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine (PubChem CID 136933263) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
PubChem CID136933263
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
SMILESCCC1CCS/C(=N\CC(C)(C)N(C)C)N1
InChIInChI=1S/C12H25N3S/c1-6-10-7-8-16-11(14-10)13-9-12(2,3)15(4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyKKLOKBASTTUXNP-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine (CID 136933263) is 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine is CCC1CCS/C(=N\CC(C)(C)N(C)C)N1.
What is the InChIKey of 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine?
The InChIKey is KKLOKBASTTUXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-6-10-7-8-16-11(14-10)13-9-12(2,3)15(4)5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine?
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine has a molecular weight of 243.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 136933263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).