N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine

C15H28N2S — CID 61330560

IUPACN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1nc(C(C)C)cs1
InChIInChI=1S/C15H28N2S/c1-5-6-7-8-9-10-13(16-4)15-17-14(11-18-15)12(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyXLTAMIZPJHFZAH-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.89
Rot. Bonds9

About N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine

N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine (PubChem CID 61330560) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
PubChem CID61330560
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1nc(C(C)C)cs1
InChIInChI=1S/C15H28N2S/c1-5-6-7-8-9-10-13(16-4)15-17-14(11-18-15)12(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyXLTAMIZPJHFZAH-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.89
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

N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622
1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
CID 61331075
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyloctan-1-amine
CID 63405858
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816
3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116504477
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
CID 104991616
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine?
The IUPAC name of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine (CID 61330560) is N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine?
The canonical SMILES for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine is CCCCCCCC(NC)c1nc(C(C)C)cs1.
What is the InChIKey of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine?
The InChIKey is XLTAMIZPJHFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-6-7-8-9-10-13(16-4)15-17-14(11-18-15)12(2)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine?
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine is sourced from PubChem (CID 61330560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).