2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine

C16H28BrNS — CID 63507912

IUPAC2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1cc(Br)cs1
InChIInChI=1S/C16H28BrNS/c1-5-7-8-16(6-2,12-18-13(3)4)10-15-9-14(17)11-19-15/h9,11,13,18H,5-8,10,12H2,1-4H3
InChIKeySNEGDIPYPCQBQZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.64
Rot. Bonds9

About 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine (PubChem CID 63507912) has the molecular formula C16H28BrNS and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
PubChem CID63507912
Molecular FormulaC16H28BrNS
Molecular Weight346.38 g/mol
Exact Mass345.11
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1cc(Br)cs1
InChIInChI=1S/C16H28BrNS/c1-5-7-8-16(6-2,12-18-13(3)4)10-15-9-14(17)11-19-15/h9,11,13,18H,5-8,10,12H2,1-4H3
InChIKeySNEGDIPYPCQBQZ-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-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine with MolForge

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63508262
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
2-[(4-bromothiophen-2-yl)methyl]-2-ethylhexanoic acid
CID 63402781
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
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508330
3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62343396
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-dimethylheptan-1-amine
CID 107354449
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine
CID 63458496

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine (CID 63507912) is 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CNC(C)C)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is SNEGDIPYPCQBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNS/c1-5-7-8-16(6-2,12-18-13(3)4)10-15-9-14(17)11-19-15/h9,11,13,18H,5-8,10,12H2,1-4H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
2-[(4-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-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63507912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).