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

C13H24N2S — CID 102609934

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
SMILESCCc1nc(CNCC(C)(C)C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-6-12-15-11(8-16-12)7-14-9-13(4,5)10(2)3/h8,10,14H,6-7,9H2,1-5H3
InChIKeyBYYXEJUCGJESMO-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.48
Rot. Bonds6

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine (PubChem CID 102609934) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
PubChem CID102609934
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
SMILESCCc1nc(CNCC(C)(C)C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-6-12-15-11(8-16-12)7-14-9-13(4,5)10(2)3/h8,10,14H,6-7,9H2,1-5H3
InChIKeyBYYXEJUCGJESMO-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897555
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592463
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine (CID 102609934) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine is CCc1nc(CNCC(C)(C)C(C)C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
The InChIKey is BYYXEJUCGJESMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-12-15-11(8-16-12)7-14-9-13(4,5)10(2)3/h8,10,14H,6-7,9H2,1-5H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 102609934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).