2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine

C21H41NO — CID 22091473

IUPAC2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
SMILESCCCCCCCCCCCOCCNCCC1=CCCCC1
InChIInChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-13-19-23-20-18-22-17-16-21-14-11-10-12-15-21/h14,22H,2-13,15-20H2,1H3
InChIKeyLJBQUZNMBHQUSW-UHFFFAOYSA-N
MW323.57 g/mol
LogP6.01
Rot. Bonds16

About 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine

2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine (PubChem CID 22091473) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
PubChem CID22091473
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
SMILESCCCCCCCCCCCOCCNCCC1=CCCCC1
InChIInChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-13-19-23-20-18-22-17-16-21-14-11-10-12-15-21/h14,22H,2-13,15-20H2,1H3
InChIKeyLJBQUZNMBHQUSW-UHFFFAOYSA-N
XLogP6.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.01
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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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
(2S)-2-[[(E)-octadec-9-enoxy]methyl]pyrrolidine
CID 145947547
(2S)-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine
CID 145948072
2-octadec-9-enoxy-N-(2-octadec-9-enoxyethyl)ethanamine
CID 57112772
N',N'-dimethyl-N-(1-octadec-9-enoxyicos-11-en-2-yl)propane-1,3-diamine
CID 57244461
N-[3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]butan-1-amine
CID 58391201
2-[(Z)-heptadec-8-enoxy]-N-methylethanamine
CID 59117586
2-heptadec-8-enoxy-N-methylethanamine
CID 72521648
bis(2-((Z)-Octadec-9-enyloxy)ethyl)amine
CID 86682234
N',N'-dimethyl-N-[(Z)-1-[(Z)-octadec-9-enoxy]icos-11-en-2-yl]propane-1,3-diamine
CID 88383857
(2R,12Z,15Z)-1-hexoxy-N-methylhenicosa-12,15-dien-2-amine
CID 88559669

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine (CID 22091473) is 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine is CCCCCCCCCCCOCCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine?
The InChIKey is LJBQUZNMBHQUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-13-19-23-20-18-22-17-16-21-14-11-10-12-15-21/h14,22H,2-13,15-20H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine has a molecular weight of 323.57 g/mol, XLogP of 6.01, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine is sourced from PubChem (CID 22091473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).