1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine

C14H25BrN2S — CID 79602867

IUPAC1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cscc1Br
InChIInChI=1S/C14H25BrN2S/c1-4-8-16-14(7-9-17(5-2)6-3)12-10-18-11-13(12)15/h10-11,14,16H,4-9H2,1-3H3
InChIKeyYGCZBWWMBAHRIG-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.28
Rot. Bonds9

About 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine

1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine (PubChem CID 79602867) has the molecular formula C14H25BrN2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
PubChem CID79602867
Molecular FormulaC14H25BrN2S
Molecular Weight333.34 g/mol
Exact Mass332.09
IUPAC Name1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cscc1Br
InChIInChI=1S/C14H25BrN2S/c1-4-8-16-14(7-9-17(5-2)6-3)12-10-18-11-13(12)15/h10-11,14,16H,4-9H2,1-3H3
InChIKeyYGCZBWWMBAHRIG-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 79602663
1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
CID 105166680
N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105166827
1-(3-bromo-2,6-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 106942768
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105010796
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine (CID 79602867) is 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)CC)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The InChIKey is YGCZBWWMBAHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2S/c1-4-8-16-14(7-9-17(5-2)6-3)12-10-18-11-13(12)15/h10-11,14,16H,4-9H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine has a molecular weight of 333.34 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 79602867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).