N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine

C14H25NS — CID 60999156

IUPACN-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCNC(C)C(CC)Cc1ccc(CC)s1
InChIInChI=1S/C14H25NS/c1-5-12(11(4)15-7-3)10-14-9-8-13(6-2)16-14/h8-9,11-12,15H,5-7,10H2,1-4H3
InChIKeyXGKDZULBCCITIO-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine

N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine (PubChem CID 60999156) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
PubChem CID60999156
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCNC(C)C(CC)Cc1ccc(CC)s1
InChIInChI=1S/C14H25NS/c1-5-12(11(4)15-7-3)10-14-9-8-13(6-2)16-14/h8-9,11-12,15H,5-7,10H2,1-4H3
InChIKeyXGKDZULBCCITIO-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111
2,5-diethylthiophene
CID 521294
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine (CID 60999156) is N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine is CCNC(C)C(CC)Cc1ccc(CC)s1.
What is the InChIKey of N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine?
The InChIKey is XGKDZULBCCITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-5-12(11(4)15-7-3)10-14-9-8-13(6-2)16-14/h8-9,11-12,15H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine?
N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine has a molecular weight of 239.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 60999156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).