4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide

C16H27ClN2OS — CID 106047856

IUPAC4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C16H27ClN2OS/c1-16(2,3)12(8-10-18)4-7-15(20)19-11-9-13-5-6-14(17)21-13/h5-6,12H,4,7-11,18H2,1-3H3,(H,19,20)
InChIKeyTWDFZTVQCRIVLJ-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.85
Rot. Bonds8

About 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide (PubChem CID 106047856) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
PubChem CID106047856
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC Name4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C16H27ClN2OS/c1-16(2,3)12(8-10-18)4-7-15(20)19-11-9-13-5-6-14(17)21-13/h5-6,12H,4,7-11,18H2,1-3H3,(H,19,20)
InChIKeyTWDFZTVQCRIVLJ-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119548205

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide (CID 106047856) is 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide is CC(C)(C)C(CCN)CCC(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
The InChIKey is TWDFZTVQCRIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2OS/c1-16(2,3)12(8-10-18)4-7-15(20)19-11-9-13-5-6-14(17)21-13/h5-6,12H,4,7-11,18H2,1-3H3,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide has a molecular weight of 330.93 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 106047856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).