4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine

C14H26N2S — CID 55143485

IUPAC4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(Cc1cnc(C)s1)CC(C)C
InChIInChI=1S/C14H26N2S/c1-5-6-15-9-13(7-11(2)3)8-14-10-16-12(4)17-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyUQLUKDAXAYRCFI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.66
Rot. Bonds8

About 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine

4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine (PubChem CID 55143485) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine
PubChem CID55143485
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(Cc1cnc(C)s1)CC(C)C
InChIInChI=1S/C14H26N2S/c1-5-6-15-9-13(7-11(2)3)8-14-10-16-12(4)17-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyUQLUKDAXAYRCFI-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine?
The IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine (CID 55143485) is 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine is CCCNCC(Cc1cnc(C)s1)CC(C)C.
What is the InChIKey of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine?
The InChIKey is UQLUKDAXAYRCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-6-15-9-13(7-11(2)3)8-14-10-16-12(4)17-14/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine?
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 55143485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).