N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C12H24N2S — CID 136848231

IUPACN-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCCC(C)C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C12H24N2S/c1-5-10(4)8-13-12-14-11(9(2)3)6-7-15-12/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyBDQPGMJOHBXPQH-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.14
Rot. Bonds4

About N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848231) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848231
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCCC(C)C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C12H24N2S/c1-5-10(4)8-13-12-14-11(9(2)3)6-7-15-12/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyBDQPGMJOHBXPQH-UHFFFAOYSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848253
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848231) is N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CCC(C)C/N=C1/NC(C(C)C)CCS1.
What is the InChIKey of N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is BDQPGMJOHBXPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-10(4)8-13-12-14-11(9(2)3)6-7-15-12/h9-11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 228.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).