2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid

C16H28N2O2S — CID 82886272

IUPAC2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
SMILESCCN(CC)CCCC(C)NCc1ccc(CC(=O)O)s1
InChIInChI=1S/C16H28N2O2S/c1-4-18(5-2)10-6-7-13(3)17-12-15-9-8-14(21-15)11-16(19)20/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,19,20)
InChIKeyBCIVNHFHYIFSJO-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.98
Rot. Bonds11

About 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid

2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82886272) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
PubChem CID82886272
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
SMILESCCN(CC)CCCC(C)NCc1ccc(CC(=O)O)s1
InChIInChI=1S/C16H28N2O2S/c1-4-18(5-2)10-6-7-13(3)17-12-15-9-8-14(21-15)11-16(19)20/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,19,20)
InChIKeyBCIVNHFHYIFSJO-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
CID 103233758
2-[5-[(5-hydroxypentan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 82888365
2-[5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 113498991
[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid
CID 65289197
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-2-yl]acetic acid
CID 82893950
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581
5-[(heptan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103247320
2-[5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894031

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid (CID 82886272) is 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid is CCN(CC)CCCC(C)NCc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is BCIVNHFHYIFSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-18(5-2)10-6-7-13(3)17-12-15-9-8-14(21-15)11-16(19)20/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 312.48 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82886272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).