N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine

C11H18N2S — CID 63006349

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1ccc(CNCC2CCNC2)s1
InChIInChI=1S/C11H18N2S/c1-9-2-3-11(14-9)8-13-7-10-4-5-12-6-10/h2-3,10,12-13H,4-8H2,1H3
InChIKeyFJTNFRJXVJRRHW-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.76
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 63006349) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID63006349
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1ccc(CNCC2CCNC2)s1
InChIInChI=1S/C11H18N2S/c1-9-2-3-11(14-9)8-13-7-10-4-5-12-6-10/h2-3,10,12-13H,4-8H2,1H3
InChIKeyFJTNFRJXVJRRHW-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 55192164
4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 114421441
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 62056399
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006477
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 79615637
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 63006349) is N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine is Cc1ccc(CNCC2CCNC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is FJTNFRJXVJRRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-2-3-11(14-9)8-13-7-10-4-5-12-6-10/h2-3,10,12-13H,4-8H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 210.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 63006349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).