1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine

C10H15BrN2S — CID 115380480

IUPAC1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1sccc1Br
InChIInChI=1S/C10H15BrN2S/c11-8-3-4-14-10(8)9(5-12)13-6-7-1-2-7/h3-4,7,9,13H,1-2,5-6,12H2
InChIKeyHEWZJNJXTCMJKM-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine

1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine (PubChem CID 115380480) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
PubChem CID115380480
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1sccc1Br
InChIInChI=1S/C10H15BrN2S/c11-8-3-4-14-10(8)9(5-12)13-6-7-1-2-7/h3-4,7,9,13H,1-2,5-6,12H2
InChIKeyHEWZJNJXTCMJKM-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine
CID 113298104
3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271388
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
N-[1-(3-bromothiophen-2-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 115890816
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105327972

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine (CID 115380480) is 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine is NCC(NCC1CC1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
The InChIKey is HEWZJNJXTCMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-8-3-4-14-10(8)9(5-12)13-6-7-1-2-7/h3-4,7,9,13H,1-2,5-6,12H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine has a molecular weight of 275.21 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115380480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).