2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine

C13H23N3S — CID 80998760

IUPAC2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCNCC1CCC1N(C)Cc1csc(C)n1
InChIInChI=1S/C13H23N3S/c1-4-14-7-11-5-6-13(11)16(3)8-12-9-17-10(2)15-12/h9,11,13-14H,4-8H2,1-3H3
InChIKeyVKPWETTWWIWHPC-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.27
Rot. Bonds6

About 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine

2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 80998760) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID80998760
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCNCC1CCC1N(C)Cc1csc(C)n1
InChIInChI=1S/C13H23N3S/c1-4-14-7-11-5-6-13(11)16(3)8-12-9-17-10(2)15-12/h9,11,13-14H,4-8H2,1-3H3
InChIKeyVKPWETTWWIWHPC-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
CID 63703954
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 96519480
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 80999518
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 62609444
2-(cyclopropylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421889
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine (CID 80998760) is 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine is CCNCC1CCC1N(C)Cc1csc(C)n1.
What is the InChIKey of 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is VKPWETTWWIWHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-14-7-11-5-6-13(11)16(3)8-12-9-17-10(2)15-12/h9,11,13-14H,4-8H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80998760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).