N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine

C13H22N2S — CID 115210838

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
SMILESCc1ccsc1CN(C)CCC1CCNC1
InChIInChI=1S/C13H22N2S/c1-11-5-8-16-13(11)10-15(2)7-4-12-3-6-14-9-12/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyYRCAAKDTXCKJOK-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine (PubChem CID 115210838) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
PubChem CID115210838
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
SMILESCc1ccsc1CN(C)CCC1CCNC1
InChIInChI=1S/C13H22N2S/c1-11-5-8-16-13(11)10-15(2)7-4-12-3-6-14-9-12/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyYRCAAKDTXCKJOK-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115272348
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339021
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 117045174
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244
N-methyl-N-(2-pyrrolidin-3-ylethyl)hydroxylamine
CID 105428686
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine (CID 115210838) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine is Cc1ccsc1CN(C)CCC1CCNC1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine?
The InChIKey is YRCAAKDTXCKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-5-8-16-13(11)10-15(2)7-4-12-3-6-14-9-12/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 115210838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).