N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine

C13H23NS — CID 61065868

IUPACN-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
SMILESCCNC(CCC(C)C)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-4-14-12(8-7-11(2)3)10-13-6-5-9-15-13/h5-6,9,11-12,14H,4,7-8,10H2,1-3H3
InChIKeyQIPPVKZHRRYFHR-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.70
Rot. Bonds7

About N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine

N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine (PubChem CID 61065868) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
PubChem CID61065868
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
SMILESCCNC(CCC(C)C)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-4-14-12(8-7-11(2)3)10-13-6-5-9-15-13/h5-6,9,11-12,14H,4,7-8,10H2,1-3H3
InChIKeyQIPPVKZHRRYFHR-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine?
The IUPAC name of N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine (CID 61065868) is N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine?
The canonical SMILES for N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine is CCNC(CCC(C)C)Cc1cccs1.
What is the InChIKey of N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine?
The InChIKey is QIPPVKZHRRYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-14-12(8-7-11(2)3)10-13-6-5-9-15-13/h5-6,9,11-12,14H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine?
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine is sourced from PubChem (CID 61065868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).