4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine

C12H25N3S — CID 136948772

IUPAC4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
SMILESCC1CS/C(=N\CCCCN(C)C)NC1C
InChIInChI=1S/C12H25N3S/c1-10-9-16-12(14-11(10)2)13-7-5-6-8-15(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyAOFKNFWSLBEWSC-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.05
Rot. Bonds5

About 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine

4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine (PubChem CID 136948772) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
PubChem CID136948772
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
SMILESCC1CS/C(=N\CCCCN(C)C)NC1C
InChIInChI=1S/C12H25N3S/c1-10-9-16-12(14-11(10)2)13-7-5-6-8-15(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyAOFKNFWSLBEWSC-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.05
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 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine (CID 136948772) is 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine is CC1CS/C(=N\CCCCN(C)C)NC1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine?
The InChIKey is AOFKNFWSLBEWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-10-9-16-12(14-11(10)2)13-7-5-6-8-15(3)4/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine?
4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 136948772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).