2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine

C16H29NO — CID 116662419

IUPAC2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(C1=CCCCC1)C1CCCC1
InChIInChI=1S/C16H29NO/c1-18-12-11-17-13-16(15-9-5-6-10-15)14-7-3-2-4-8-14/h7,15-17H,2-6,8-13H2,1H3
InChIKeyNRXWJUBFDNVFDE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds7

About 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine

2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine (PubChem CID 116662419) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
PubChem CID116662419
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(C1=CCCCC1)C1CCCC1
InChIInChI=1S/C16H29NO/c1-18-12-11-17-13-16(15-9-5-6-10-15)14-7-3-2-4-8-14/h7,15-17H,2-6,8-13H2,1H3
InChIKeyNRXWJUBFDNVFDE-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine (CID 116662419) is 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine is COCCNCC(C1=CCCCC1)C1CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is NRXWJUBFDNVFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-18-12-11-17-13-16(15-9-5-6-10-15)14-7-3-2-4-8-14/h7,15-17H,2-6,8-13H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 116662419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).