1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine

C17H22N2OS — CID 60858994

IUPAC1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1ncccc1CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C17H22N2OS/c1-20-17-14(8-4-10-18-17)12-19-16(13-6-2-3-7-13)15-9-5-11-21-15/h4-5,8-11,13,16,19H,2-3,6-7,12H2,1H3
InChIKeyONNMLRZIJLNDCC-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.17
Rot. Bonds6

About 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 60858994) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID60858994
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1ncccc1CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C17H22N2OS/c1-20-17-14(8-4-10-18-17)12-19-16(13-6-2-3-7-13)15-9-5-11-21-15/h4-5,8-11,13,16,19H,2-3,6-7,12H2,1H3
InChIKeyONNMLRZIJLNDCC-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61016899
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
CID 63324944
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine (CID 60858994) is 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine is COc1ncccc1CNC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is ONNMLRZIJLNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-20-17-14(8-4-10-18-17)12-19-16(13-6-2-3-7-13)15-9-5-11-21-15/h4-5,8-11,13,16,19H,2-3,6-7,12H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 302.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 60858994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).