2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide

C16H25BrN2OS — CID 104677775

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H25BrN2OS/c1-2-19(11-13-6-7-14(17)21-13)15(20)10-16(12-18)8-4-3-5-9-16/h6-7H,2-5,8-12,18H2,1H3
InChIKeyMVXYDSSITWWLSP-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.16
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide (PubChem CID 104677775) has the molecular formula C16H25BrN2OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
PubChem CID104677775
Molecular FormulaC16H25BrN2OS
Molecular Weight373.36 g/mol
Exact Mass372.09
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H25BrN2OS/c1-2-19(11-13-6-7-14(17)21-13)15(20)10-16(12-18)8-4-3-5-9-16/h6-7H,2-5,8-12,18H2,1H3
InChIKeyMVXYDSSITWWLSP-UHFFFAOYSA-N
XLogP4.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide (CID 104677775) is 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Br)s1)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide?
The InChIKey is MVXYDSSITWWLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2OS/c1-2-19(11-13-6-7-14(17)21-13)15(20)10-16(12-18)8-4-3-5-9-16/h6-7H,2-5,8-12,18H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide has a molecular weight of 373.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 104677775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).