N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine

C10H15BrN2S — CID 107423728

IUPACN-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2sccc2Br)CCNC1
InChIInChI=1S/C10H15BrN2S/c1-10(3-4-12-7-10)13-6-9-8(11)2-5-14-9/h2,5,12-13H,3-4,6-7H2,1H3
InChIKeyZHAHXILDXMPPNM-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.35
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine

N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107423728) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107423728
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2sccc2Br)CCNC1
InChIInChI=1S/C10H15BrN2S/c1-10(3-4-12-7-10)13-6-9-8(11)2-5-14-9/h2,5,12-13H,3-4,6-7H2,1H3
InChIKeyZHAHXILDXMPPNM-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424188
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
CID 83072733
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
CID 106976495
3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 107424127
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine (CID 107423728) is N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine is CC1(NCc2sccc2Br)CCNC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is ZHAHXILDXMPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-10(3-4-12-7-10)13-6-9-8(11)2-5-14-9/h2,5,12-13H,3-4,6-7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine?
N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 275.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107423728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).