1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol

C24H31NO2 — CID 3152613

IUPAC1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol
SMILESOC(COCC1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NO2/c26-24(20-27-19-23-14-8-3-9-15-23)18-25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-8,10-13,23-24,26H,9,14-20H2
InChIKeyYNYFYZRFYNNBDF-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.42
Rot. Bonds10

About 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol

1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol (PubChem CID 3152613) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol
PubChem CID3152613
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol
SMILESOC(COCC1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NO2/c26-24(20-27-19-23-14-8-3-9-15-23)18-25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-8,10-13,23-24,26H,9,14-20H2
InChIKeyYNYFYZRFYNNBDF-UHFFFAOYSA-N
XLogP4.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibenzylethanolamine
CID 22657
7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 3308751
Decloxizine
CID 71135
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
1-[Benzyl(2-hydroxyethyl)amino]-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 70331967
1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
2-[Benzyl(cyclohexylmethyl)amino]ethanol
CID 783424
Cambridge id 5429816
CID 2846085
1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
CID 10517107
1,3-Bis[benzyl(methyl)amino]propan-2-ol
CID 224691
1-(4-Benzyl-1-piperazinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol dihydrochloride
CID 11958907

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol (CID 3152613) is 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol is OC(COCC1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol?
The InChIKey is YNYFYZRFYNNBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c26-24(20-27-19-23-14-8-3-9-15-23)18-25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-8,10-13,23-24,26H,9,14-20H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol?
1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol has a molecular weight of 365.52 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol is sourced from PubChem (CID 3152613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).