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

C14H26N2S — CID 61330206

IUPACN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
SMILESCCCCCCC(C)(NCC)c1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-5-7-8-9-10-14(4,15-6-2)13-16-12(3)11-17-13/h11,15H,5-10H2,1-4H3
InChIKeyKDNCZMCOVUBKPD-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.25
Rot. Bonds8

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

N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine (PubChem CID 61330206) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
PubChem CID61330206
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
SMILESCCCCCCC(C)(NCC)c1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-5-7-8-9-10-14(4,15-6-2)13-16-12(3)11-17-13/h11,15H,5-10H2,1-4H3
InChIKeyKDNCZMCOVUBKPD-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371
3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 63951458
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 113490150
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
CID 80558537
3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
CID 63952060
N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953061
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine?
The IUPAC name of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine (CID 61330206) is N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine.
What is the SMILES notation for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine?
The canonical SMILES for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine is CCCCCCC(C)(NCC)c1nc(C)cs1.
What is the InChIKey of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine?
The InChIKey is KDNCZMCOVUBKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-7-8-9-10-14(4,15-6-2)13-16-12(3)11-17-13/h11,15H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine?
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine is sourced from PubChem (CID 61330206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).