1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine

C17H27NS — CID 107417281

IUPAC1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC1CCCC1CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C17H27NS/c1-13-6-4-9-15(13)12-18-17(14-7-2-3-8-14)16-10-5-11-19-16/h5,10-11,13-15,17-18H,2-4,6-9,12H2,1H3
InChIKeySLUKOLOGTQNGCT-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.01
Rot. Bonds5

About 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 107417281) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID107417281
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC1CCCC1CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C17H27NS/c1-13-6-4-9-15(13)12-18-17(14-7-2-3-8-14)16-10-5-11-19-16/h5,10-11,13-15,17-18H,2-4,6-9,12H2,1H3
InChIKeySLUKOLOGTQNGCT-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 80554170
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 63478842
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine (CID 107417281) is 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine is CC1CCCC1CNC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is SLUKOLOGTQNGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-13-6-4-9-15(13)12-18-17(14-7-2-3-8-14)16-10-5-11-19-16/h5,10-11,13-15,17-18H,2-4,6-9,12H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 277.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 107417281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).