1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride

C11H19ClN2S — CID 115593273

IUPAC1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
SMILESCN1CCCC1CNCc1ccsc1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-13-5-2-3-11(13)8-12-7-10-4-6-14-9-10;/h4,6,9,11-12H,2-3,5,7-8H2,1H3;1H
InChIKeyYTKRFCJOFHWLBO-UHFFFAOYSA-N
MW246.81 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride

1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride (PubChem CID 115593273) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
PubChem CID115593273
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
SMILESCN1CCCC1CNCc1ccsc1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-13-5-2-3-11(13)8-12-7-10-4-6-14-9-10;/h4,6,9,11-12H,2-3,5,7-8H2,1H3;1H
InChIKeyYTKRFCJOFHWLBO-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115592450
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride (CID 115593273) is 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride is CN1CCCC1CNCc1ccsc1.Cl.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
The InChIKey is YTKRFCJOFHWLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.ClH/c1-13-5-2-3-11(13)8-12-7-10-4-6-14-9-10;/h4,6,9,11-12H,2-3,5,7-8H2,1H3;1H.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride has a molecular weight of 246.81 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 115593273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).