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

C12H22N2OS — CID 106676092

IUPACN-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-6-13-10(7-12(3,4)15-5)11-14-9(2)8-16-11/h8,10,13H,6-7H2,1-5H3
InChIKeyIXKVRVJWJCMSKV-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds6

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

N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 106676092) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID106676092
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-6-13-10(7-12(3,4)15-5)11-14-9(2)8-16-11/h8,10,13H,6-7H2,1-5H3
InChIKeyIXKVRVJWJCMSKV-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (CID 106676092) is N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is CCNC(CC(C)(C)OC)c1nc(C)cs1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is IXKVRVJWJCMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-13-10(7-12(3,4)15-5)11-14-9(2)8-16-11/h8,10,13H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 106676092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).