N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine

C20H33N — CID 65303793

IUPACN-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine
SMILESCCNCCC1(CCc2ccc(C(C)C)cc2)CCCC1
InChIInChI=1S/C20H33N/c1-4-21-16-15-20(12-5-6-13-20)14-11-18-7-9-19(10-8-18)17(2)3/h7-10,17,21H,4-6,11-16H2,1-3H3
InChIKeyQWVCRHQZBSXTEU-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.30
Rot. Bonds8

About N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine

N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine (PubChem CID 65303793) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine
PubChem CID65303793
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine
SMILESCCNCCC1(CCc2ccc(C(C)C)cc2)CCCC1
InChIInChI=1S/C20H33N/c1-4-21-16-15-20(12-5-6-13-20)14-11-18-7-9-19(10-8-18)17(2)3/h7-10,17,21H,4-6,11-16H2,1-3H3
InChIKeyQWVCRHQZBSXTEU-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
[1-[(4-propan-2-ylphenyl)methyl]cyclopentyl]methanol
CID 66026116
N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81019029
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66025103
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)ethyl]cyclopentyl]-N-ethylethanamine
CID 79991176
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine (CID 65303793) is N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine is CCNCCC1(CCc2ccc(C(C)C)cc2)CCCC1.
What is the InChIKey of N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine?
The InChIKey is QWVCRHQZBSXTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-21-16-15-20(12-5-6-13-20)14-11-18-7-9-19(10-8-18)17(2)3/h7-10,17,21H,4-6,11-16H2,1-3H3.
What are the key properties of N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine?
N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine is sourced from PubChem (CID 65303793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).