2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine

C13H22N2S — CID 112645563

IUPAC2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1Cc1cncs1
InChIInChI=1S/C13H22N2S/c1-10(2)6-14-7-12-4-3-11(12)5-13-8-15-9-16-13/h8-12,14H,3-7H2,1-2H3
InChIKeyYOZVEBJXVAEZJY-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.96
Rot. Bonds6

About 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 112645563) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
PubChem CID112645563
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1Cc1cncs1
InChIInChI=1S/C13H22N2S/c1-10(2)6-14-7-12-4-3-11(12)5-13-8-15-9-16-13/h8-12,14H,3-7H2,1-2H3
InChIKeyYOZVEBJXVAEZJY-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112644687
5-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1,3-thiazole
CID 112643860
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 165498055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine (CID 112645563) is 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine is CC(C)CNCC1CCC1Cc1cncs1.
What is the InChIKey of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is YOZVEBJXVAEZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)6-14-7-12-4-3-11(12)5-13-8-15-9-16-13/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 112645563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).