1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine

C9H13BrN2S — CID 116961189

IUPAC1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc(Br)s1)C1(N)CC1
InChIInChI=1S/C9H13BrN2S/c1-12-8(9(11)4-5-9)6-2-3-7(10)13-6/h2-3,8,12H,4-5,11H2,1H3
InChIKeyMRKGJTADGPISMU-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.26
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine

1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine (PubChem CID 116961189) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine
PubChem CID116961189
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc(Br)s1)C1(N)CC1
InChIInChI=1S/C9H13BrN2S/c1-12-8(9(11)4-5-9)6-2-3-7(10)13-6/h2-3,8,12H,4-5,11H2,1H3
InChIKeyMRKGJTADGPISMU-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol
CID 116836152
(5-bromothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943526
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
CID 116859412
1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949282
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262
1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 54898113
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210270
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
CID 130601456
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine (CID 116961189) is 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine is CNC(c1ccc(Br)s1)C1(N)CC1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine?
The InChIKey is MRKGJTADGPISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-12-8(9(11)4-5-9)6-2-3-7(10)13-6/h2-3,8,12H,4-5,11H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine?
1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine has a molecular weight of 261.19 g/mol, XLogP of 2.26, 3 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)-(methylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).