2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C14H24N2S — CID 79184426

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC1CN(C(C)CNCc2cccs2)CC1C
InChIInChI=1S/C14H24N2S/c1-11-9-16(10-12(11)2)13(3)7-15-8-14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyKXBYJLJOARWTOL-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.81
Rot. Bonds5

About 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 79184426) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID79184426
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC1CN(C(C)CNCc2cccs2)CC1C
InChIInChI=1S/C14H24N2S/c1-11-9-16(10-12(11)2)13(3)7-15-8-14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyKXBYJLJOARWTOL-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63776987
2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83062252
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 79184426) is 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC1CN(C(C)CNCc2cccs2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is KXBYJLJOARWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-9-16(10-12(11)2)13(3)7-15-8-14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 79184426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).