2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine

C16H28BrNS — CID 63508262

IUPAC2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C16H28BrNS/c1-5-7-10-16(6-2,12-18-13(3)4)11-14-8-9-15(17)19-14/h8-9,13,18H,5-7,10-12H2,1-4H3
InChIKeyZIVJKEPXYAVBCI-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.64
Rot. Bonds9

About 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine (PubChem CID 63508262) has the molecular formula C16H28BrNS and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
PubChem CID63508262
Molecular FormulaC16H28BrNS
Molecular Weight346.38 g/mol
Exact Mass345.11
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C16H28BrNS/c1-5-7-10-16(6-2,12-18-13(3)4)11-14-8-9-15(17)19-14/h8-9,13,18H,5-7,10-12H2,1-4H3
InChIKeyZIVJKEPXYAVBCI-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine with MolForge

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507912
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine
CID 107053176
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine (CID 63508262) is 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CNC(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is ZIVJKEPXYAVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNS/c1-5-7-10-16(6-2,12-18-13(3)4)11-14-8-9-15(17)19-14/h8-9,13,18H,5-7,10-12H2,1-4H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 346.38 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63508262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).