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

C13H23ClN2S — CID 115592450

IUPAC1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
SMILESCCCN1CCC(CNCc2ccsc2)C1.Cl
InChIInChI=1S/C13H22N2S.ClH/c1-2-5-15-6-3-12(10-15)8-14-9-13-4-7-16-11-13;/h4,7,11-12,14H,2-3,5-6,8-10H2,1H3;1H
InChIKeyWQVTZYKXYMFYOB-UHFFFAOYSA-N
MW274.86 g/mol
LogP2.99
Rot. Bonds6

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

1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride (PubChem CID 115592450) has the molecular formula C13H23ClN2S and a molecular weight of 274.86 g/mol. Its IUPAC name is 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
PubChem CID115592450
Molecular FormulaC13H23ClN2S
Molecular Weight274.86 g/mol
Exact Mass274.13
IUPAC Name1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
SMILESCCCN1CCC(CNCc2ccsc2)C1.Cl
InChIInChI=1S/C13H22N2S.ClH/c1-2-5-15-6-3-12(10-15)8-14-9-13-4-7-16-11-13;/h4,7,11-12,14H,2-3,5-6,8-10H2,1H3;1H
InChIKeyWQVTZYKXYMFYOB-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.86
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111443181
1-ethyl-3-[(1-propylpiperidin-4-yl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940771
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
tert-butyl 4-[(thiophen-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 78915930
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 119139537
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride (CID 115592450) is 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride is CCCN1CCC(CNCc2ccsc2)C1.Cl.
What is the InChIKey of 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
The InChIKey is WQVTZYKXYMFYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S.ClH/c1-2-5-15-6-3-12(10-15)8-14-9-13-4-7-16-11-13;/h4,7,11-12,14H,2-3,5-6,8-10H2,1H3;1H.
What are the key properties of 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride?
1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride has a molecular weight of 274.86 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 115592450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).