2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol

C16H23NO — CID 2846085

IUPAC2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CC=CCC1
InChIInChI=1S/C16H23NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-5,7-8,16,18H,6,9-14H2
InChIKeyHHDWJOMSNUIHJG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.84
Rot. Bonds6

About 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol

2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol (PubChem CID 2846085) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol
PubChem CID2846085
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CC=CCC1
InChIInChI=1S/C16H23NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-5,7-8,16,18H,6,9-14H2
InChIKeyHHDWJOMSNUIHJG-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol?
The IUPAC name of 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol (CID 2846085) is 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol is OCCN(Cc1ccccc1)CC1CC=CCC1.
What is the InChIKey of 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol?
The InChIKey is HHDWJOMSNUIHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-5,7-8,16,18H,6,9-14H2.
What are the key properties of 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol?
2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol has a molecular weight of 245.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclohex-3-en-1-ylmethyl)amino]ethanol is sourced from PubChem (CID 2846085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).