N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine

C14H25NOS — CID 116724693

IUPACN-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCNC(c1csc(C)c1)C(OC)C(C)(C)C
InChIInChI=1S/C14H25NOS/c1-7-15-12(11-8-10(2)17-9-11)13(16-6)14(3,4)5/h8-9,12-13,15H,7H2,1-6H3
InChIKeyLAYAZGVSDMRMPR-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine

N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine (PubChem CID 116724693) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
PubChem CID116724693
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCNC(c1csc(C)c1)C(OC)C(C)(C)C
InChIInChI=1S/C14H25NOS/c1-7-15-12(11-8-10(2)17-9-11)13(16-6)14(3,4)5/h8-9,12-13,15H,7H2,1-6H3
InChIKeyLAYAZGVSDMRMPR-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
CID 116723604
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
N-ethyl-3-methoxy-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104795
2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 79492752
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512
N-ethyl-3-methyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 65104847
N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine
CID 65102175
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724855
N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 103433934
2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116721090

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine (CID 116724693) is N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine is CCNC(c1csc(C)c1)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The InChIKey is LAYAZGVSDMRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-7-15-12(11-8-10(2)17-9-11)13(16-6)14(3,4)5/h8-9,12-13,15H,7H2,1-6H3.
What are the key properties of N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 116724693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).