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

C16H30N2S — CID 156526540

IUPAC4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine
SMILESCCCCCCC(C)(CCC)NCc1csc(C)n1
InChIInChI=1S/C16H30N2S/c1-5-7-8-9-11-16(4,10-6-2)17-12-15-13-19-14(3)18-15/h13,17H,5-12H2,1-4H3
InChIKeyWPFYOZIBYBLUCR-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.07
Rot. Bonds10

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

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine (PubChem CID 156526540) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine
PubChem CID156526540
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine
SMILESCCCCCCC(C)(CCC)NCc1csc(C)n1
InChIInChI=1S/C16H30N2S/c1-5-7-8-9-11-16(4,10-6-2)17-12-15-13-19-14(3)18-15/h13,17H,5-12H2,1-4H3
InChIKeyWPFYOZIBYBLUCR-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
N-((2-methylthiazol-4-yl)methyl)adamantan-1-amine
CID 28780792
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 71931388
1-(4-Methyl-1,3-thiazol-2-yl)cycloheptan-1-amine hydrochloride
CID 45791856
1-methyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 53587517
(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
CID 164632300
2-(3-butan-2-yl-5,5-difluoroazocan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 146182619
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
1-(4-Methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 45791857
1-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine?
The IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine (CID 156526540) is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine?
The canonical SMILES for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine is CCCCCCC(C)(CCC)NCc1csc(C)n1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine?
The InChIKey is WPFYOZIBYBLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-7-8-9-11-16(4,10-6-2)17-12-15-13-19-14(3)18-15/h13,17H,5-12H2,1-4H3.
What are the key properties of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine?
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine has a molecular weight of 282.50 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]decan-4-amine is sourced from PubChem (CID 156526540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).