1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol

C16H29NO2 — CID 60634312

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol
SMILESOC(CNCCC1=CCCCC1)COC1CCCC1
InChIInChI=1S/C16H29NO2/c18-15(13-19-16-8-4-5-9-16)12-17-11-10-14-6-2-1-3-7-14/h6,15-18H,1-5,7-13H2
InChIKeyVLCGHPMSODYKIJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.79
Rot. Bonds8

About 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol

1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol (PubChem CID 60634312) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol
PubChem CID60634312
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol
SMILESOC(CNCCC1=CCCCC1)COC1CCCC1
InChIInChI=1S/C16H29NO2/c18-15(13-19-16-8-4-5-9-16)12-17-11-10-14-6-2-1-3-7-14/h6,15-18H,1-5,7-13H2
InChIKeyVLCGHPMSODYKIJ-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

CID 55021478
CID 55021478
CID 55021504
CID 55021504
CID 60634284
CID 60634284
CID 60634286
CID 60634286
CID 60634541
CID 60634541
CID 60634543
CID 60634543
CID 60634573
CID 60634573
CID 60634574
CID 60634574
CID 60634575
CID 60634575
CID 60634601
CID 60634601
CID 60634630
CID 60634630
CID 60634659
CID 60634659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol (CID 60634312) is 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol is OC(CNCCC1=CCCCC1)COC1CCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol?
The InChIKey is VLCGHPMSODYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-15(13-19-16-8-4-5-9-16)12-17-11-10-14-6-2-1-3-7-14/h6,15-18H,1-5,7-13H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol has a molecular weight of 267.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentyloxypropan-2-ol is sourced from PubChem (CID 60634312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).