1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine

C13H22BrNS — CID 79411660

IUPAC1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccc(Br)s1)NC(C)C
InChIInChI=1S/C13H22BrNS/c1-4-5-6-11(15-10(2)3)9-12-7-8-13(14)16-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyAHDWJJNEDOTRMT-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.61
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine

1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine (PubChem CID 79411660) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
PubChem CID79411660
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccc(Br)s1)NC(C)C
InChIInChI=1S/C13H22BrNS/c1-4-5-6-11(15-10(2)3)9-12-7-8-13(14)16-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyAHDWJJNEDOTRMT-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
CID 79413154
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
1-(5-ethylthiophen-2-yl)hexan-2-ylhydrazine
CID 105245716
4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018832
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
CID 104803172
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine (CID 79411660) is 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1ccc(Br)s1)NC(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine?
The InChIKey is AHDWJJNEDOTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-4-5-6-11(15-10(2)3)9-12-7-8-13(14)16-12/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine?
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine has a molecular weight of 304.30 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79411660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).