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

C13H24N2S — CID 105019512

IUPACN-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc(C)cs1)C(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-6-14-12(11(5)9(2)3)7-13-15-10(4)8-16-13/h8-9,11-12,14H,6-7H2,1-5H3
InChIKeyGRCXOPZPIPDTRJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.26
Rot. Bonds6

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

N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 105019512) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID105019512
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc(C)cs1)C(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-6-14-12(11(5)9(2)3)7-13-15-10(4)8-16-13/h8-9,11-12,14H,6-7H2,1-5H3
InChIKeyGRCXOPZPIPDTRJ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116720302
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105019461
N-ethyl-5,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 62794826
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720237
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (CID 105019512) is N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is CCNC(Cc1nc(C)cs1)C(C)C(C)C.
What is the InChIKey of N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is GRCXOPZPIPDTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-14-12(11(5)9(2)3)7-13-15-10(4)8-16-13/h8-9,11-12,14H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 105019512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).