N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

C15H26N2OS — CID 103539771

IUPACN-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(OC)C2)c(C)s1
InChIInChI=1S/C15H26N2OS/c1-4-6-16-9-15-8-13(12(2)19-15)10-17-7-5-14(11-17)18-3/h8,14,16H,4-7,9-11H2,1-3H3
InChIKeyNYRABYWYIPDETO-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.78
Rot. Bonds7

About N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (PubChem CID 103539771) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
PubChem CID103539771
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(OC)C2)c(C)s1
InChIInChI=1S/C15H26N2OS/c1-4-6-16-9-15-8-13(12(2)19-15)10-17-7-5-14(11-17)18-3/h8,14,16H,4-7,9-11H2,1-3H3
InChIKeyNYRABYWYIPDETO-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391
(3-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2967138
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2966636
3-({(2-Methoxyethyl)[(5-methyl-2-thienyl)methyl]amino}methyl)pyrrolidin-3-ol
CID 70743337
(3S)-1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 99940469
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55259529
1-(2,5-dimethylthiophen-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61501488
3-[1-(2,5-Dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902098
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65243715
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65243768
3-[(4,5-Dimethylthiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 65243968
1-(2,5-dimethylthiophen-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803010

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (CID 103539771) is N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCC(OC)C2)c(C)s1.
What is the InChIKey of N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The InChIKey is NYRABYWYIPDETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-6-16-9-15-8-13(12(2)19-15)10-17-7-5-14(11-17)18-3/h8,14,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103539771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).