N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C15H29N3S — CID 136848253

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C/N=C1/NC(C(C)C)CCS1)CN1CCCC1
InChIInChI=1S/C15H29N3S/c1-12(2)14-6-9-19-15(17-14)16-10-13(3)11-18-7-4-5-8-18/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyDZPBJMDDFXKRCG-UHFFFAOYSA-N
MW283.49 g/mol
LogP2.83
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848253) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848253
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C/N=C1/NC(C(C)C)CCS1)CN1CCCC1
InChIInChI=1S/C15H29N3S/c1-12(2)14-6-9-19-15(17-14)16-10-13(3)11-18-7-4-5-8-18/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyDZPBJMDDFXKRCG-UHFFFAOYSA-N
XLogP2.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373
N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993359
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
CID 55160168
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070254
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848253) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C/N=C1/NC(C(C)C)CCS1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is DZPBJMDDFXKRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-12(2)14-6-9-19-15(17-14)16-10-13(3)11-18-7-4-5-8-18/h12-14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 283.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).