1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine

C16H28BrNS — CID 115841192

IUPAC1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)CC(C)C(C)(C)C
InChIInChI=1S/C16H28BrNS/c1-6-9-18-13(10-12(2)16(3,4)5)11-14-7-8-15(17)19-14/h7-8,12-13,18H,6,9-11H2,1-5H3
InChIKeyFABAPJIOKUEIKL-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.49
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine

1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine (PubChem CID 115841192) has the molecular formula C16H28BrNS and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
PubChem CID115841192
Molecular FormulaC16H28BrNS
Molecular Weight346.38 g/mol
Exact Mass345.11
IUPAC Name1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)CC(C)C(C)(C)C
InChIInChI=1S/C16H28BrNS/c1-6-9-18-13(10-12(2)16(3,4)5)11-14-7-8-15(17)19-14/h7-8,12-13,18H,6,9-11H2,1-5H3
InChIKeyFABAPJIOKUEIKL-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
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
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 63891302
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine (CID 115841192) is 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine is CCCNC(Cc1ccc(Br)s1)CC(C)C(C)(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The InChIKey is FABAPJIOKUEIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNS/c1-6-9-18-13(10-12(2)16(3,4)5)11-14-7-8-15(17)19-14/h7-8,12-13,18H,6,9-11H2,1-5H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine?
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine has a molecular weight of 346.38 g/mol, XLogP of 5.49, 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)-4,5,5-trimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 115841192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).