N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine

C15H29N3S — CID 136757242

IUPACN-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine
SMILESCCC1(C)CCS/C(=N\CCN(C)C2CCCC2)N1
InChIInChI=1S/C15H29N3S/c1-4-15(2)9-12-19-14(17-15)16-10-11-18(3)13-7-5-6-8-13/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyQHAHKPOFRIXRCI-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.11
Rot. Bonds5

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

N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine (PubChem CID 136757242) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine
PubChem CID136757242
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine
SMILESCCC1(C)CCS/C(=N\CCN(C)C2CCCC2)N1
InChIInChI=1S/C15H29N3S/c1-4-15(2)9-12-19-14(17-15)16-10-11-18(3)13-7-5-6-8-13/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyQHAHKPOFRIXRCI-UHFFFAOYSA-N
XLogP3.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.11
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 N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine (CID 136757242) is N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine is CCC1(C)CCS/C(=N\CCN(C)C2CCCC2)N1.
What is the InChIKey of N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine?
The InChIKey is QHAHKPOFRIXRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-4-15(2)9-12-19-14(17-15)16-10-11-18(3)13-7-5-6-8-13/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine?
N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine has a molecular weight of 283.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 136757242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).