4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine

C12H21NOS — CID 103031795

IUPAC4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1ccc(C)s1
InChIInChI=1S/C12H21NOS/c1-9-5-6-11(15-9)10(13)7-8-12(2,3)14-4/h5-6,10H,7-8,13H2,1-4H3
InChIKeyCWHIKJYZVVSYSN-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.26
Rot. Bonds5

About 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine

4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine (PubChem CID 103031795) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
PubChem CID103031795
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1ccc(C)s1
InChIInChI=1S/C12H21NOS/c1-9-5-6-11(15-9)10(13)7-8-12(2,3)14-4/h5-6,10H,7-8,13H2,1-4H3
InChIKeyCWHIKJYZVVSYSN-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 103031371
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031433
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine (CID 103031795) is 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine is COC(C)(C)CCC(N)c1ccc(C)s1.
What is the InChIKey of 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
The InChIKey is CWHIKJYZVVSYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9-5-6-11(15-9)10(13)7-8-12(2,3)14-4/h5-6,10H,7-8,13H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 103031795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).