1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

C11H16Br2N2S — CID 102841634

IUPAC1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2cc(Br)c(Br)s2)C1
InChIInChI=1S/C11H16Br2N2S/c1-14-5-8-2-3-15(6-8)7-9-4-10(12)11(13)16-9/h4,8,14H,2-3,5-7H2,1H3
InChIKeyTWSICEHSNJKCNV-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.31
Rot. Bonds4

About 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 102841634) has the molecular formula C11H16Br2N2S and a molecular weight of 368.14 g/mol. Its IUPAC name is 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID102841634
Molecular FormulaC11H16Br2N2S
Molecular Weight368.14 g/mol
Exact Mass365.94
IUPAC Name1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2cc(Br)c(Br)s2)C1
InChIInChI=1S/C11H16Br2N2S/c1-14-5-8-2-3-15(6-8)7-9-4-10(12)11(13)16-9/h4,8,14H,2-3,5-7H2,1H3
InChIKeyTWSICEHSNJKCNV-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
2-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 102845145
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263660
N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921861
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
N-methyl-1-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55168091
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
1-methyl-5-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 116632363

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 102841634) is 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(Cc2cc(Br)c(Br)s2)C1.
What is the InChIKey of 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is TWSICEHSNJKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2S/c1-14-5-8-2-3-15(6-8)7-9-4-10(12)11(13)16-9/h4,8,14H,2-3,5-7H2,1H3.
What are the key properties of 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 368.14 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102841634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).