N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine

C16H30N2S — CID 105138249

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NC)c1scnc1C
InChIInChI=1S/C16H30N2S/c1-4-5-6-7-8-9-10-11-12-15(17-3)16-14(2)18-13-19-16/h13,15,17H,4-12H2,1-3H3
InChIKeyLDAUIRPCTSXSCE-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.24
Rot. Bonds11

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine (PubChem CID 105138249) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
PubChem CID105138249
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NC)c1scnc1C
InChIInChI=1S/C16H30N2S/c1-4-5-6-7-8-9-10-11-12-15(17-3)16-14(2)18-13-19-16/h13,15,17H,4-12H2,1-3H3
InChIKeyLDAUIRPCTSXSCE-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.24
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-(4-methyl-1,3-thiazol-5-yl)pentylhydrazine
CID 105293729
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105140195
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150397
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
CID 105112701
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine (CID 105138249) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine is CCCCCCCCCCC(NC)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine?
The InChIKey is LDAUIRPCTSXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-4-5-6-7-8-9-10-11-12-15(17-3)16-14(2)18-13-19-16/h13,15,17H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine is sourced from PubChem (CID 105138249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).