N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

C11H19N3S — CID 80999518

IUPACN-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1cscn1
InChIInChI=1S/C11H19N3S/c1-12-5-9-3-4-11(9)14(2)6-10-7-15-8-13-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyNZOANCOFJSFFHA-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.57
Rot. Bonds5

About N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 80999518) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID80999518
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1cscn1
InChIInChI=1S/C11H19N3S/c1-12-5-9-3-4-11(9)14(2)6-10-7-15-8-13-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyNZOANCOFJSFFHA-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80996129
trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
CID 99106889
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 80998760
2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one
CID 62052814
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 81004867
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62427363
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (CID 80999518) is N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is CNCC1CCC1N(C)Cc1cscn1.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is NZOANCOFJSFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-12-5-9-3-4-11(9)14(2)6-10-7-15-8-13-10/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80999518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).