2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine

C18H29NO — CID 82936231

IUPAC2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1cc(C)cc(C)c1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-14-10-15(2)12-17(11-14)18(13-19-8-9-20-3)16-6-4-5-7-16/h10-12,16,18-19H,4-9,13H2,1-3H3
InChIKeyLTRHKKXJDNNAPX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.81
Rot. Bonds7

About 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine

2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 82936231) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID82936231
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1cc(C)cc(C)c1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-14-10-15(2)12-17(11-14)18(13-19-8-9-20-3)16-6-4-5-7-16/h10-12,16,18-19H,4-9,13H2,1-3H3
InChIKeyLTRHKKXJDNNAPX-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine (CID 82936231) is 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine is COCCNCC(c1cc(C)cc(C)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is LTRHKKXJDNNAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-10-15(2)12-17(11-14)18(13-19-8-9-20-3)16-6-4-5-7-16/h10-12,16,18-19H,4-9,13H2,1-3H3.
What are the key properties of 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82936231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).