N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine

C17H27NS — CID 64502337

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NC(c2cccs2)C2CCCC2)C1
InChIInChI=1S/C17H27NS/c1-2-13-9-10-15(12-13)18-17(14-6-3-4-7-14)16-8-5-11-19-16/h5,8,11,13-15,17-18H,2-4,6-7,9-10,12H2,1H3
InChIKeyLYTXIKCZWNURSW-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.15
Rot. Bonds5

About N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 64502337) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID64502337
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NC(c2cccs2)C2CCCC2)C1
InChIInChI=1S/C17H27NS/c1-2-13-9-10-15(12-13)18-17(14-6-3-4-7-14)16-8-5-11-19-16/h5,8,11,13-15,17-18H,2-4,6-7,9-10,12H2,1H3
InChIKeyLYTXIKCZWNURSW-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]hydrazine
CID 105193634
N-[cyclopropyl(thiophen-2-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103926276
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
CID 79942468
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113350069
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopropyl(thiophen-2-yl)methyl]-2-propylcyclopropan-1-amine
CID 115898671

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine (CID 64502337) is N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(NC(c2cccs2)C2CCCC2)C1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is LYTXIKCZWNURSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-13-9-10-15(12-13)18-17(14-6-3-4-7-14)16-8-5-11-19-16/h5,8,11,13-15,17-18H,2-4,6-7,9-10,12H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64502337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).