1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine

C10H17BrN2S — CID 116945742

IUPAC1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(N)c1ccc(Br)s1
InChIInChI=1S/C10H17BrN2S/c1-6(2)7(5-12)10(13)8-3-4-9(11)14-8/h3-4,6-7,10H,5,12-13H2,1-2H3
InChIKeyPVHWADCNFKEFIC-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.74
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine

1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945742) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945742
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(N)c1ccc(Br)s1
InChIInChI=1S/C10H17BrN2S/c1-6(2)7(5-12)10(13)8-3-4-9(11)14-8/h3-4,6-7,10H,5,12-13H2,1-2H3
InChIKeyPVHWADCNFKEFIC-UHFFFAOYSA-N
XLogP2.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
CID 117240735
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol
CID 83987266
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571920
2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478575

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116945742) is 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)C(N)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PVHWADCNFKEFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-6(2)7(5-12)10(13)8-3-4-9(11)14-8/h3-4,6-7,10H,5,12-13H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).